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

C23H22N2O — CID 134083782

IUPAC1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
SMILESCOc1ccc2nc(CCc3ccccc3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C23H22N2O/c1-26-20-13-14-21-22(16-20)25(17-19-10-6-3-7-11-19)23(24-21)15-12-18-8-4-2-5-9-18/h2-11,13-14,16H,12,15,17H2,1H3
InChIKeyFYTSPJYPMVWYSR-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.88
Rot. Bonds6

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

1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole (PubChem CID 134083782) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
PubChem CID134083782
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
SMILESCOc1ccc2nc(CCc3ccccc3)n(Cc3ccccc3)c2c1
InChIInChI=1S/C23H22N2O/c1-26-20-13-14-21-22(16-20)25(17-19-10-6-3-7-11-19)23(24-21)15-12-18-8-4-2-5-9-18/h2-11,13-14,16H,12,15,17H2,1H3
InChIKeyFYTSPJYPMVWYSR-UHFFFAOYSA-N
XLogP4.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole
CID 134083914
1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766
1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
CID 134083781
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 66670689
1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
CID 71620987
3-[[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-1,2-oxazole
CID 81177780
3-[[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106407036
1-benzyl-2-propylbenzimidazole
CID 764560

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole?
The IUPAC name of 1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole (CID 134083782) is 1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole?
The canonical SMILES for 1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole is COc1ccc2nc(CCc3ccccc3)n(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole?
The InChIKey is FYTSPJYPMVWYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-26-20-13-14-21-22(16-20)25(17-19-10-6-3-7-11-19)23(24-21)15-12-18-8-4-2-5-9-18/h2-11,13-14,16H,12,15,17H2,1H3.
What are the key properties of 1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole?
1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole has a molecular weight of 342.44 g/mol, XLogP of 4.88, 6 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-phenylethyl)benzimidazole is sourced from PubChem (CID 134083782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).