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

C17H14ClN3 — CID 82144799

IUPAC3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
SMILESCC(C#N)Cn1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C17H14ClN3/c1-12(10-19)11-21-16-8-3-2-7-15(16)20-17(21)13-5-4-6-14(18)9-13/h2-9,12H,11H2,1H3
InChIKeyYPWUERLGTOKQNX-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.52
Rot. Bonds3

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

3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile (PubChem CID 82144799) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
PubChem CID82144799
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
SMILESCC(C#N)Cn1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C17H14ClN3/c1-12(10-19)11-21-16-8-3-2-7-15(16)20-17(21)13-5-4-6-14(18)9-13/h2-9,12H,11H2,1H3
InChIKeyYPWUERLGTOKQNX-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

3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144793
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile
CID 82144803
(2R)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol
CID 40512617
(2S)-1-[2-(3-chlorophenyl)benzimidazol-1-yl]-3-(dimethylamino)propan-2-ol
CID 40512615
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518
2-[2-(3-chlorophenyl)benzimidazol-1-yl]ethanethioamide
CID 39151422
2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine
CID 82144800
2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 17001968
6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
CID 46310887
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole
CID 20930565

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile?
The IUPAC name of 3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile (CID 82144799) is 3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile is CC(C#N)Cn1c(-c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile?
The InChIKey is YPWUERLGTOKQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-12(10-19)11-21-16-8-3-2-7-15(16)20-17(21)13-5-4-6-14(18)9-13/h2-9,12H,11H2,1H3.
What are the key properties of 3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile?
3-[2-(3-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-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 82144799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).