3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile

C17H14ClN3 — CID 82144793

IUPAC3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
SMILESCC(C#N)Cn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C17H14ClN3/c1-12(10-19)11-21-16-9-5-4-8-15(16)20-17(21)13-6-2-3-7-14(13)18/h2-9,12H,11H2,1H3
InChIKeyVFQFSNLMXDQMCH-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.52
Rot. Bonds3

About 3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile

3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile (PubChem CID 82144793) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
PubChem CID82144793
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
SMILESCC(C#N)Cn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C17H14ClN3/c1-12(10-19)11-21-16-9-5-4-8-15(16)20-17(21)13-6-2-3-7-14(13)18/h2-9,12H,11H2,1H3
InChIKeyVFQFSNLMXDQMCH-UHFFFAOYSA-N
XLogP4.52
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
CID 18878777
3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144799
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
[(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium
CID 6981814
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
2-methyl-3-[2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propanenitrile
CID 82311077
1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole
CID 17002114
1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
CID 17000601
2-[2-(2-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 39157949
2-(2-chlorophenyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
CID 5136193
N-tert-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 17032773

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile (CID 82144793) is 3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile is CC(C#N)Cn1c(-c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile?
The InChIKey is VFQFSNLMXDQMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-12(10-19)11-21-16-9-5-4-8-15(16)20-17(21)13-6-2-3-7-14(13)18/h2-9,12H,11H2,1H3.
What are the key properties of 3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile?
3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile has a molecular weight of 295.77 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 82144793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).