1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole

C22H20N2O — CID 45104451

IUPAC1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
SMILESCOc1ccc(-c2nc3ccc(C)cc3n2Cc2ccccc2)cc1
InChIInChI=1S/C22H20N2O/c1-16-8-13-20-21(14-16)24(15-17-6-4-3-5-7-17)22(23-20)18-9-11-19(25-2)12-10-18/h3-14H,15H2,1-2H3
InChIKeyAUQJIHVHVVLLSH-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.07
Rot. Bonds4

About 1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole

1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole (PubChem CID 45104451) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
PubChem CID45104451
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
SMILESCOc1ccc(-c2nc3ccc(C)cc3n2Cc2ccccc2)cc1
InChIInChI=1S/C22H20N2O/c1-16-8-13-20-21(14-16)24(15-17-6-4-3-5-7-17)22(23-20)18-9-11-19(25-2)12-10-18/h3-14H,15H2,1-2H3
InChIKeyAUQJIHVHVVLLSH-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

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Related Compounds

5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584
1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766
1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
CID 134083781
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698
[4-(1-benzylbenzimidazol-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 110494122
N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine
CID 19354031
1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
CID 134083782
N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine
CID 19353943
5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 25128386
1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole
CID 18879455

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole?
The IUPAC name of 1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole (CID 45104451) is 1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole.
What is the SMILES notation for 1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole?
The canonical SMILES for 1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole is COc1ccc(-c2nc3ccc(C)cc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole?
The InChIKey is AUQJIHVHVVLLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16-8-13-20-21(14-16)24(15-17-6-4-3-5-7-17)22(23-20)18-9-11-19(25-2)12-10-18/h3-14H,15H2,1-2H3.
What are the key properties of 1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole?
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole 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-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole is sourced from PubChem (CID 45104451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).