1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole

C21H16ClFN2O — CID 1483088

IUPAC1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C21H16ClFN2O/c1-14-9-11-15(12-10-14)21-24-19-7-2-3-8-20(19)25(21)26-13-16-17(22)5-4-6-18(16)23/h2-12H,13H2,1H3
InChIKeyWSLSHCGAGPHXLJ-UHFFFAOYSA-N
MW366.82 g/mol
LogP5.43
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole

1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole (PubChem CID 1483088) has the molecular formula C21H16ClFN2O and a molecular weight of 366.82 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole
PubChem CID1483088
Molecular FormulaC21H16ClFN2O
Molecular Weight366.82 g/mol
Exact Mass366.09
IUPAC Name1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C21H16ClFN2O/c1-14-9-11-15(12-10-14)21-24-19-7-2-3-8-20(19)25(21)26-13-16-17(22)5-4-6-18(16)23/h2-12H,13H2,1H3
InChIKeyWSLSHCGAGPHXLJ-UHFFFAOYSA-N
XLogP5.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.82
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)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 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole (CID 1483088) is 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole is Cc1ccc(-c2nc3ccccc3n2OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole?
The InChIKey is WSLSHCGAGPHXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O/c1-14-9-11-15(12-10-14)21-24-19-7-2-3-8-20(19)25(21)26-13-16-17(22)5-4-6-18(16)23/h2-12H,13H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole?
1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole has a molecular weight of 366.82 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methoxy]-2-(4-methylphenyl)benzimidazole is sourced from PubChem (CID 1483088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).