4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole

C15H13ClN2O — CID 60979217

IUPAC4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole
SMILESCOc1ccccc1Cc1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C15H13ClN2O/c1-19-13-8-3-2-5-10(13)9-14-17-12-7-4-6-11(16)15(12)18-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyAATSFKGFKULVGQ-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.82
Rot. Bonds3

About 4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole

4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole (PubChem CID 60979217) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole
PubChem CID60979217
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole
SMILESCOc1ccccc1Cc1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C15H13ClN2O/c1-19-13-8-3-2-5-10(13)9-14-17-12-7-4-6-11(16)15(12)18-14/h2-8H,9H2,1H3,(H,17,18)
InChIKeyAATSFKGFKULVGQ-UHFFFAOYSA-N
XLogP3.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole 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-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole?
The IUPAC name of 4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole (CID 60979217) is 4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole is COc1ccccc1Cc1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole?
The InChIKey is AATSFKGFKULVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-19-13-8-3-2-5-10(13)9-14-17-12-7-4-6-11(16)15(12)18-14/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole?
4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole has a molecular weight of 272.74 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 60979217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).