1-benzyl-2-chloro-5...

1-benzyl-2-chloro-5-methyl-1H-benzimidazole(CAS No. 55415-32-2)

1-benzyl-2-chloro-5-methyl-1H-benzimidazole(CAS No. 55415-32-2)

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1-benzyl-2-chloro-5-methyl-benzoimidazole 55415-32-2 98%

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Details:

【Name】
1-benzyl-2-chloro-5-methyl-1H-benzimidazole
【Iupac name】
1-benzyl-2-chloro-5-methylbenzimidazole
【CAS Registry number】
55415-32-2
【Synonyms】
NSC357907
AC1L7MOK
NSC-357907
1-benzyl-2-chloro-5-methylbenzimidazole
55415-32-2
【Molecular Formula】
C15H13ClN2 (Products with the same molecular formula)
【Molecular Weight】
256.7301
【Inchi】
InChI=1/C15H13ClN2/c1-11-7-8-14-13(9-11)17-15(16)18(14)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
【Canonical SMILES】
CC1=CC2=C(C=C1)N(C(=N2)Cl)CC3=CC=CC=C3
Chemical and Physical Properties
【Density】
1.2g/cm3
【Boiling Point】
440.9°C at 760 mmHg
【Refractive Index】
1.628
【Flash Point】
220.4°C
【Computed Properties】
Molecular Weight:256.73012 [g/mol]
Molecular Formula:C15H13ClN2
XLogP3-AA:4.4
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:2
Exact Mass:256.076726
MonoIsotopic Mass:256.076726
Topological Polar Surface Area:17.8
Heavy Atom Count:18
Formal Charge:0
Complexity:278
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:8

 

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