1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole

C22H20N2O — CID 17000627

IUPAC1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
SMILESCOc1ccc(Cn2c(-c3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O/c1-16-7-3-4-8-19(16)22-23-20-9-5-6-10-21(20)24(22)15-17-11-13-18(25-2)14-12-17/h3-14H,15H2,1-2H3
InChIKeyXIARBGJHQZAJDA-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.07
Rot. Bonds4

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

1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole (PubChem CID 17000627) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
PubChem CID17000627
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
SMILESCOc1ccc(Cn2c(-c3ccccc3C)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O/c1-16-7-3-4-8-19(16)22-23-20-9-5-6-10-21(20)24(22)15-17-11-13-18(25-2)14-12-17/h3-14H,15H2,1-2H3
InChIKeyXIARBGJHQZAJDA-UHFFFAOYSA-N
XLogP5.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methoxyphenyl)methyl]-2-(2-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

Related Compounds

1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766
[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150130
1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000629
1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 18879503
1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161888
1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
CID 17000704
2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
CID 20930563
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
[4-(1-benzylbenzimidazol-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 110494122

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole (CID 17000627) is 1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole is COc1ccc(Cn2c(-c3ccccc3C)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole?
The InChIKey is XIARBGJHQZAJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16-7-3-4-8-19(16)22-23-20-9-5-6-10-21(20)24(22)15-17-11-13-18(25-2)14-12-17/h3-14H,15H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole?
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole has a molecular weight of 328.42 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 17000627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).