2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile

C17H14ClN3 — CID 39157949

IUPAC2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
SMILESCc1cc2nc(-c3ccccc3Cl)n(CC#N)c2cc1C
InChIInChI=1S/C17H14ClN3/c1-11-9-15-16(10-12(11)2)21(8-7-19)17(20-15)13-5-3-4-6-14(13)18/h3-6,9-10H,8H2,1-2H3
InChIKeyKCQBMZQBBVGBNX-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.50
Rot. Bonds2

About 2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile

2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile (PubChem CID 39157949) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
PubChem CID39157949
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
SMILESCc1cc2nc(-c3ccccc3Cl)n(CC#N)c2cc1C
InChIInChI=1S/C17H14ClN3/c1-11-9-15-16(10-12(11)2)21(8-7-19)17(20-15)13-5-3-4-6-14(13)18/h3-6,9-10H,8H2,1-2H3
InChIKeyKCQBMZQBBVGBNX-UHFFFAOYSA-N
XLogP4.50
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 39157929
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetonitrile
CID 39157826
3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144793
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 39157935
3-[5,6-dimethoxy-2-(2-methylphenyl)benzimidazol-1-yl]propanenitrile
CID 94748439
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
2-[5-(2-chlorophenyl)-1,2,4-triazol-1-yl]acetonitrile
CID 56786488
2-[2-(10-aminodecyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 92635833
2-[5,6-difluoro-2-(3-methylphenyl)benzimidazol-1-yl]acetonitrile
CID 82146203
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanenitrile
CID 82145204

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile (CID 39157949) is 2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile is Cc1cc2nc(-c3ccccc3Cl)n(CC#N)c2cc1C.
What is the InChIKey of 2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile?
The InChIKey is KCQBMZQBBVGBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-11-9-15-16(10-12(11)2)21(8-7-19)17(20-15)13-5-3-4-6-14(13)18/h3-6,9-10H,8H2,1-2H3.
What are the key properties of 2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile?
2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile has a molecular weight of 295.77 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 39157949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).