4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile

C15H11ClN4 — CID 62267212

IUPAC4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c(N)nc3cccc(Cl)c32)cc1
InChIInChI=1S/C15H11ClN4/c16-12-2-1-3-13-14(12)20(15(18)19-13)9-11-6-4-10(8-17)5-7-11/h1-7H,9H2,(H2,18,19)
InChIKeyMRGFKVPZOTVTIC-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.19
Rot. Bonds2

About 4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile

4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile (PubChem CID 62267212) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile
PubChem CID62267212
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Name4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c(N)nc3cccc(Cl)c32)cc1
InChIInChI=1S/C15H11ClN4/c16-12-2-1-3-13-14(12)20(15(18)19-13)9-11-6-4-10(8-17)5-7-11/h1-7H,9H2,(H2,18,19)
InChIKeyMRGFKVPZOTVTIC-UHFFFAOYSA-N
XLogP3.19
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile 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 4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile (CID 62267212) is 4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile is N#Cc1ccc(Cn2c(N)nc3cccc(Cl)c32)cc1.
What is the InChIKey of 4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile?
The InChIKey is MRGFKVPZOTVTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4/c16-12-2-1-3-13-14(12)20(15(18)19-13)9-11-6-4-10(8-17)5-7-11/h1-7H,9H2,(H2,18,19).
What are the key properties of 4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile?
4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile has a molecular weight of 282.73 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 62267212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).