1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole

C22H20N2O — CID 134083766

IUPAC1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
SMILESCOc1ccc2nc(-c3ccccc3C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C22H20N2O/c1-16-8-6-7-11-19(16)22-23-20-13-12-18(25-2)14-21(20)24(22)15-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3
InChIKeyTWBSLQVDXPPGSG-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.07
Rot. Bonds4

About 1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole

1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole (PubChem CID 134083766) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
PubChem CID134083766
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
SMILESCOc1ccc2nc(-c3ccccc3C)n(Cc3ccccc3)c2c1
InChIInChI=1S/C22H20N2O/c1-16-8-6-7-11-19(16)22-23-20-13-12-18(25-2)14-21(20)24(22)15-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3
InChIKeyTWBSLQVDXPPGSG-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

1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
CID 134083781
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
CID 134083782
1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 18879503
[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150130
1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000629
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole
CID 11724181
1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
CID 17000704
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole
CID 170765469

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole?
The IUPAC name of 1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole (CID 134083766) is 1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole?
The canonical SMILES for 1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole is COc1ccc2nc(-c3ccccc3C)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole?
The InChIKey is TWBSLQVDXPPGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16-8-6-7-11-19(16)22-23-20-13-12-18(25-2)14-21(20)24(22)15-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3.
What are the key properties of 1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole?
1-benzyl-6-methoxy-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-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 134083766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).