2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile

C15H10ClN3 — CID 65034977

IUPAC2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccccc2Cl)nc2cc(C#N)ccc21
InChIInChI=1S/C15H10ClN3/c1-19-14-7-6-10(9-17)8-13(14)18-15(19)11-4-2-3-5-12(11)16/h2-8H,1H3
InChIKeyVBSHUOBNCOIUPK-UHFFFAOYSA-N
MW267.72 g/mol
LogP3.77
Rot. Bonds1

About 2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile

2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile (PubChem CID 65034977) has the molecular formula C15H10ClN3 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
PubChem CID65034977
Molecular FormulaC15H10ClN3
Molecular Weight267.72 g/mol
Exact Mass267.06
IUPAC Name2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccccc2Cl)nc2cc(C#N)ccc21
InChIInChI=1S/C15H10ClN3/c1-19-14-7-6-10(9-17)8-13(14)18-15(19)11-4-2-3-5-12(11)16/h2-8H,1H3
InChIKeyVBSHUOBNCOIUPK-UHFFFAOYSA-N
XLogP3.77
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile (CID 65034977) is 2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile is Cn1c(-c2ccccc2Cl)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile?
The InChIKey is VBSHUOBNCOIUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3/c1-19-14-7-6-10(9-17)8-13(14)18-15(19)11-4-2-3-5-12(11)16/h2-8H,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile?
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile has a molecular weight of 267.72 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65034977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).