2-(benzimidazol-1-yl)-4-chlorobenzonitrile

C14H8ClN3 — CID 55180235

IUPAC2-(benzimidazol-1-yl)-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1-n1cnc2ccccc21
InChIInChI=1S/C14H8ClN3/c15-11-6-5-10(8-16)14(7-11)18-9-17-12-3-1-2-4-13(12)18/h1-7,9H
InChIKeyMURBXDLHHSLIJF-UHFFFAOYSA-N
MW253.69 g/mol
LogP3.55
Rot. Bonds1

About 2-(benzimidazol-1-yl)-4-chlorobenzonitrile

2-(benzimidazol-1-yl)-4-chlorobenzonitrile (PubChem CID 55180235) has the molecular formula C14H8ClN3 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-4-chlorobenzonitrile
PubChem CID55180235
Molecular FormulaC14H8ClN3
Molecular Weight253.69 g/mol
Exact Mass253.04
IUPAC Name2-(benzimidazol-1-yl)-4-chlorobenzonitrile
SMILESN#Cc1ccc(Cl)cc1-n1cnc2ccccc21
InChIInChI=1S/C14H8ClN3/c15-11-6-5-10(8-16)14(7-11)18-9-17-12-3-1-2-4-13(12)18/h1-7,9H
InChIKeyMURBXDLHHSLIJF-UHFFFAOYSA-N
XLogP3.55
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-4-chlorobenzonitrile?
The IUPAC name of 2-(benzimidazol-1-yl)-4-chlorobenzonitrile (CID 55180235) is 2-(benzimidazol-1-yl)-4-chlorobenzonitrile.
What is the SMILES notation for 2-(benzimidazol-1-yl)-4-chlorobenzonitrile?
The canonical SMILES for 2-(benzimidazol-1-yl)-4-chlorobenzonitrile is N#Cc1ccc(Cl)cc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-4-chlorobenzonitrile?
The InChIKey is MURBXDLHHSLIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3/c15-11-6-5-10(8-16)14(7-11)18-9-17-12-3-1-2-4-13(12)18/h1-7,9H.
What are the key properties of 2-(benzimidazol-1-yl)-4-chlorobenzonitrile?
2-(benzimidazol-1-yl)-4-chlorobenzonitrile has a molecular weight of 253.69 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-4-chlorobenzonitrile is sourced from PubChem (CID 55180235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).