1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole

C23H21FN2O — CID 507354

IUPAC1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
SMILESCOc1cccc2c1nc(-c1ccccc1F)n2Cc1c(C)cccc1C
InChIInChI=1S/C23H21FN2O/c1-15-8-6-9-16(2)18(15)14-26-20-12-7-13-21(27-3)22(20)25-23(26)17-10-4-5-11-19(17)24/h4-13H,14H2,1-3H3
InChIKeyHHDUCEUURNRZIH-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.52
Rot. Bonds4

About 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole

1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole (PubChem CID 507354) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
PubChem CID507354
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
SMILESCOc1cccc2c1nc(-c1ccccc1F)n2Cc1c(C)cccc1C
InChIInChI=1S/C23H21FN2O/c1-15-8-6-9-16(2)18(15)14-26-20-12-7-13-21(27-3)22(20)25-23(26)17-10-4-5-11-19(17)24/h4-13H,14H2,1-3H3
InChIKeyHHDUCEUURNRZIH-UHFFFAOYSA-N
XLogP5.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole 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-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole (CID 507354) is 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole is COc1cccc2c1nc(-c1ccccc1F)n2Cc1c(C)cccc1C.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole?
The InChIKey is HHDUCEUURNRZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-15-8-6-9-16(2)18(15)14-26-20-12-7-13-21(27-3)22(20)25-23(26)17-10-4-5-11-19(17)24/h4-13H,14H2,1-3H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole?
1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole has a molecular weight of 360.43 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole is sourced from PubChem (CID 507354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).