6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole

C15H13Cl2N3O — CID 115471492

IUPAC6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole
SMILESCOc1cc(Cn2c(CCl)nc3ccc(Cl)cc32)ccn1
InChIInChI=1S/C15H13Cl2N3O/c1-21-15-6-10(4-5-18-15)9-20-13-7-11(17)2-3-12(13)19-14(20)8-16/h2-7H,8-9H2,1H3
InChIKeyWJMXFEPNQWFXPX-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.88
Rot. Bonds4

About 6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole

6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole (PubChem CID 115471492) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole
PubChem CID115471492
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole
SMILESCOc1cc(Cn2c(CCl)nc3ccc(Cl)cc32)ccn1
InChIInChI=1S/C15H13Cl2N3O/c1-21-15-6-10(4-5-18-15)9-20-13-7-11(17)2-3-12(13)19-14(20)8-16/h2-7H,8-9H2,1H3
InChIKeyWJMXFEPNQWFXPX-UHFFFAOYSA-N
XLogP3.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]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 6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole (CID 115471492) is 6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole is COc1cc(Cn2c(CCl)nc3ccc(Cl)cc32)ccn1.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole?
The InChIKey is WJMXFEPNQWFXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-21-15-6-10(4-5-18-15)9-20-13-7-11(17)2-3-12(13)19-14(20)8-16/h2-7H,8-9H2,1H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole?
6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole has a molecular weight of 322.20 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole is sourced from PubChem (CID 115471492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).