5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole

C27H24N2O — CID 134083914

IUPAC5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole
SMILESCOc1ccc2c(c1)nc(CCc1ccccc1)n2Cc1ccc2ccccc2c1
InChIInChI=1S/C27H24N2O/c1-30-24-14-15-26-25(18-24)28-27(16-12-20-7-3-2-4-8-20)29(26)19-21-11-13-22-9-5-6-10-23(22)17-21/h2-11,13-15,17-18H,12,16,19H2,1H3
InChIKeyWUKCKGOCYMWOKJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.03
Rot. Bonds6

About 5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole

5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole (PubChem CID 134083914) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole
PubChem CID134083914
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole
SMILESCOc1ccc2c(c1)nc(CCc1ccccc1)n2Cc1ccc2ccccc2c1
InChIInChI=1S/C27H24N2O/c1-30-24-14-15-26-25(18-24)28-27(16-12-20-7-3-2-4-8-20)29(26)19-21-11-13-22-9-5-6-10-23(22)17-21/h2-11,13-15,17-18H,12,16,19H2,1H3
InChIKeyWUKCKGOCYMWOKJ-UHFFFAOYSA-N
XLogP6.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-6-methoxy-2-(2-phenylethyl)benzimidazole
CID 134083782
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
[1-[(3-fluorophenyl)methyl]-5-methoxybenzimidazol-2-yl]methanol
CID 82334557
1-[(3-methylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878943
4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008719
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
CID 71620987
(1-benzyl-5-ethoxybenzimidazol-2-yl)methanethiol
CID 82334952
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
2-(chloromethyl)-5-fluoro-1-[(3-methoxyphenyl)methyl]benzimidazole
CID 61029065
2-[[5-methyl-1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methoxy]benzoic acid
CID 142221103

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole?
The IUPAC name of 5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole (CID 134083914) is 5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole?
The canonical SMILES for 5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole is COc1ccc2c(c1)nc(CCc1ccccc1)n2Cc1ccc2ccccc2c1.
What is the InChIKey of 5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole?
The InChIKey is WUKCKGOCYMWOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-30-24-14-15-26-25(18-24)28-27(16-12-20-7-3-2-4-8-20)29(26)19-21-11-13-22-9-5-6-10-23(22)17-21/h2-11,13-15,17-18H,12,16,19H2,1H3.
What are the key properties of 5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole?
5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole has a molecular weight of 392.50 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(naphthalen-2-ylmethyl)-2-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 134083914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).