5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile

C15H10ClN3 — CID 11543555

IUPAC5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile
SMILESCn1cnc2ccc(-c3ccccc3Cl)c(C#N)c21
InChIInChI=1S/C15H10ClN3/c1-19-9-18-14-7-6-10(12(8-17)15(14)19)11-4-2-3-5-13(11)16/h2-7,9H,1H3
InChIKeyPEYAHLIOTMKQAJ-UHFFFAOYSA-N
MW267.72 g/mol
LogP3.77
Rot. Bonds1

About 5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile

5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile (PubChem CID 11543555) has the molecular formula C15H10ClN3 and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile
PubChem CID11543555
Molecular FormulaC15H10ClN3
Molecular Weight267.72 g/mol
Exact Mass267.06
IUPAC Name5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile
SMILESCn1cnc2ccc(-c3ccccc3Cl)c(C#N)c21
InChIInChI=1S/C15H10ClN3/c1-19-9-18-14-7-6-10(12(8-17)15(14)19)11-4-2-3-5-13(11)16/h2-7,9H,1H3
InChIKeyPEYAHLIOTMKQAJ-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 5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile?
The IUPAC name of 5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile (CID 11543555) is 5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile.
What is the SMILES notation for 5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile?
The canonical SMILES for 5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile is Cn1cnc2ccc(-c3ccccc3Cl)c(C#N)c21.
What is the InChIKey of 5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile?
The InChIKey is PEYAHLIOTMKQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3/c1-19-9-18-14-7-6-10(12(8-17)15(14)19)11-4-2-3-5-13(11)16/h2-7,9H,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile?
5-(2-chlorophenyl)-3-methylbenzimidazole-4-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 5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile is sourced from PubChem (CID 11543555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).