2-chloro-6-imidazol-1-ylbenzonitrile

C10H6ClN3 — CID 2726190

IUPAC2-chloro-6-imidazol-1-ylbenzonitrile
SMILESN#Cc1c(Cl)cccc1-n1ccnc1
InChIInChI=1S/C10H6ClN3/c11-9-2-1-3-10(8(9)6-12)14-5-4-13-7-14/h1-5,7H
InChIKeyYHOLVZHNEDDOJS-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.40
Rot. Bonds1

About 2-chloro-6-imidazol-1-ylbenzonitrile

2-chloro-6-imidazol-1-ylbenzonitrile (PubChem CID 2726190) has the molecular formula C10H6ClN3 and a molecular weight of 203.63 g/mol. Its IUPAC name is 2-chloro-6-imidazol-1-ylbenzonitrile.

Molecular Properties

Compound Name2-chloro-6-imidazol-1-ylbenzonitrile
PubChem CID2726190
Molecular FormulaC10H6ClN3
Molecular Weight203.63 g/mol
Exact Mass203.03
IUPAC Name2-chloro-6-imidazol-1-ylbenzonitrile
SMILESN#Cc1c(Cl)cccc1-n1ccnc1
InChIInChI=1S/C10H6ClN3/c11-9-2-1-3-10(8(9)6-12)14-5-4-13-7-14/h1-5,7H
InChIKeyYHOLVZHNEDDOJS-UHFFFAOYSA-N
XLogP2.40
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-imidazol-1-ylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-imidazol-1-ylbenzonitrile?
The IUPAC name of 2-chloro-6-imidazol-1-ylbenzonitrile (CID 2726190) is 2-chloro-6-imidazol-1-ylbenzonitrile.
What is the SMILES notation for 2-chloro-6-imidazol-1-ylbenzonitrile?
The canonical SMILES for 2-chloro-6-imidazol-1-ylbenzonitrile is N#Cc1c(Cl)cccc1-n1ccnc1.
What is the InChIKey of 2-chloro-6-imidazol-1-ylbenzonitrile?
The InChIKey is YHOLVZHNEDDOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3/c11-9-2-1-3-10(8(9)6-12)14-5-4-13-7-14/h1-5,7H.
What are the key properties of 2-chloro-6-imidazol-1-ylbenzonitrile?
2-chloro-6-imidazol-1-ylbenzonitrile has a molecular weight of 203.63 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-imidazol-1-ylbenzonitrile is sourced from PubChem (CID 2726190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).