2-chloro-5-methoxy-1-methylbenzimidazole

C9H9ClN2O — CID 45078585

IUPAC2-chloro-5-methoxy-1-methylbenzimidazole
SMILESCOc1ccc2c(c1)nc(Cl)n2C
InChIInChI=1S/C9H9ClN2O/c1-12-8-4-3-6(13-2)5-7(8)11-9(12)10/h3-5H,1-2H3
InChIKeyOBIDQNUZFRRCGK-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.24
Rot. Bonds1

About 2-chloro-5-methoxy-1-methylbenzimidazole

2-chloro-5-methoxy-1-methylbenzimidazole (PubChem CID 45078585) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-chloro-5-methoxy-1-methylbenzimidazole.

Molecular Properties

Compound Name2-chloro-5-methoxy-1-methylbenzimidazole
PubChem CID45078585
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name2-chloro-5-methoxy-1-methylbenzimidazole
SMILESCOc1ccc2c(c1)nc(Cl)n2C
InChIInChI=1S/C9H9ClN2O/c1-12-8-4-3-6(13-2)5-7(8)11-9(12)10/h3-5H,1-2H3
InChIKeyOBIDQNUZFRRCGK-UHFFFAOYSA-N
XLogP2.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-methoxy-1-methylbenzimidazole 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-5-methoxy-1-methylbenzimidazole?
The IUPAC name of 2-chloro-5-methoxy-1-methylbenzimidazole (CID 45078585) is 2-chloro-5-methoxy-1-methylbenzimidazole.
What is the SMILES notation for 2-chloro-5-methoxy-1-methylbenzimidazole?
The canonical SMILES for 2-chloro-5-methoxy-1-methylbenzimidazole is COc1ccc2c(c1)nc(Cl)n2C.
What is the InChIKey of 2-chloro-5-methoxy-1-methylbenzimidazole?
The InChIKey is OBIDQNUZFRRCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-12-8-4-3-6(13-2)5-7(8)11-9(12)10/h3-5H,1-2H3.
What are the key properties of 2-chloro-5-methoxy-1-methylbenzimidazole?
2-chloro-5-methoxy-1-methylbenzimidazole has a molecular weight of 196.64 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-1-methylbenzimidazole is sourced from PubChem (CID 45078585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).