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

C16H12ClN3 — CID 82144803

IUPAC3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile
SMILESN#CCCn1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C16H12ClN3/c17-13-6-3-5-12(11-13)16-19-14-7-1-2-8-15(14)20(16)10-4-9-18/h1-3,5-8,11H,4,10H2
InChIKeyDFTUWBWJDYNGHD-UHFFFAOYSA-N
MW281.75 g/mol
LogP4.27
Rot. Bonds3

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

3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile (PubChem CID 82144803) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile
PubChem CID82144803
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile
SMILESN#CCCn1c(-c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C16H12ClN3/c17-13-6-3-5-12(11-13)16-19-14-7-1-2-8-15(14)20(16)10-4-9-18/h1-3,5-8,11H,4,10H2
InChIKeyDFTUWBWJDYNGHD-UHFFFAOYSA-N
XLogP4.27
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]propanenitrile
CID 94747257
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518
3-[2-(3-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144799
4-(2-phenylbenzimidazol-1-yl)butanenitrile
CID 82150408
1-[2-(4-chlorophenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002011
1-[4-(4-chlorophenoxy)butyl]-2-(3-chlorophenyl)benzimidazole
CID 17002067
1-(azepan-1-yl)-3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-one
CID 17002094
2-[2-(3-chlorophenyl)benzimidazol-1-yl]ethanethioamide
CID 39151422
2-(3-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 17002021
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-chlorophenyl)benzimidazole
CID 17002010
2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 17001968

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile?
The IUPAC name of 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile (CID 82144803) is 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile?
The canonical SMILES for 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile is N#CCCn1c(-c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile?
The InChIKey is DFTUWBWJDYNGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-13-6-3-5-12(11-13)16-19-14-7-1-2-8-15(14)20(16)10-4-9-18/h1-3,5-8,11H,4,10H2.
What are the key properties of 3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile?
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile has a molecular weight of 281.75 g/mol, XLogP of 4.27, 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]propanenitrile is sourced from PubChem (CID 82144803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).