1-(Piperidin-4-yl)-1,3-dihydrobenzoimidazol-2-one supplier

Name
4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE
EINECS 243-950-3
CAS No. 20662-53-7
Article Data12
CAS DataBase
Density 1.218 g/cm³
Solubility
Melting Point 183-185 °C(lit.)
Formula C₁₂H₁₅N₃O
Boiling Point 357.82°C (rough estimate)
Molecular Weight 217.271
Flash Point
Transport Information UN 2811 6.1/PG 3
Appearance off-white to slightly yellow powder
Safety 26-36-45
Risk Codes 25-36/37/38
Molecular Structure
Hazard Symbols T
Synonyms 2-Benzimidazolinone,1-(4-piperidyl)- (6CI,8CI);1,3-Dihydro-1-(4-piperidinyl)benzimidazol-2-one;1-(4-Piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one;1-(4-Piperidinyl)-2-benzimidazolinone;1-(4-Piperidyl)-2-benzimidazolinone;1-(4-Piperidyl)-2-oxobenzimidazoline;1-(4-Piperidyl)-3-hydrobenzimidazol-2-one;1-(Piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one;4-(2,3-Dihydro-2-oxobenzimidazol-1-yl)piperidine;4-(2-Oxo-1,3-dihydrobenzimidazol-1-yl)piperidine;4-(2-Oxo-1-benzimidazolinyl)piperidine;4-(2-Oxo-1-benzimidazolyl)piperidine;4-(2-Oxo-2,3-dihydrobenzimidazol-1-yl)piperidine;4-(2-keto-1-Benzimidazolinyl)piperidine;R 30507;4-(2-Keto-1-benzimidozolinyl)piperidine;
PSA 49.82000
LogP 1.58290

1-(Piperidin-4-yl)-1,3-dihydrobenzoimidazol-2-one Specification

This chemical is called 1-(Piperidin-4-yl)-1,3-dihydrobenzoimidazol-2-one, and its IUPAC name is 3-piperidin-4-yl-1H-benzimidazol-2-one. With the molecular formula of C₁₂H₁₅N₃O, its molecular weight is 217.27. The CAS registry number of this chemical is 20662-53-7, and its product categories are Benzimidazoles; Building Blocks; Heterocyclic Building Blocks. In addition, this chemical should be stored in the sealed container, and it should be kept cool and dry.

Other characteristics of the 1-(Piperidin-4-yl)-1,3-dihydrobenzoimidazol-2-one can be summarised as followings: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.95; (4)ACD/LogD (pH 7.4): -1.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.79 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 60.69 cm³; (15)Molar Volume: 178.2 cm³; (16)Polarizability: 24.06×10^-24cm³; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.218 g/cm³.

Uses of this chemical: The 1-(Piperidin-4-yl)-1,3-dihydrobenzoimidazol-2-one could react with succinic acid anhydride, and obtain the 4-oxo-4-[4-(1,3-dihydro-2H-benzimidazol-2-one-1-yl)piperidin-1-yl]butanoic acid. This reaction needs the solvent of CHCl₃, and the yield is 97.5 %. In additon, this reaction should be taken for 4 hours at the ambient temperature.

When you are using this chemical, please be cautious about it as the following: This chemical is toxic if swallowed, and it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1Nc3ccccc3N1C2CCNCC2
(2)InChI: InChI=1/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)
(3)InChIKey: BYNBAMHAURJNTR-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)
(5)Std. InChIKey: BYNBAMHAURJNTR-UHFFFAOYSA-N

Product Name

4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE

1-(Piperidin-4-yl)-1,3-dihydrobenzoimidazol-2-one Specification

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