5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole

C28H24N2O — CID 134083884

IUPAC5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
SMILESCOc1ccc2c(c1)nc(-c1ccc(-c3ccccc3)cc1)n2Cc1ccc(C)cc1
InChIInChI=1S/C28H24N2O/c1-20-8-10-21(11-9-20)19-30-27-17-16-25(31-2)18-26(27)29-28(30)24-14-12-23(13-15-24)22-6-4-3-5-7-22/h3-18H,19H2,1-2H3
InChIKeyPQZXVHJQFVKWAG-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.74
Rot. Bonds5

About 5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole

5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole (PubChem CID 134083884) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole.

Molecular Properties

Compound Name5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
PubChem CID134083884
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
SMILESCOc1ccc2c(c1)nc(-c1ccc(-c3ccccc3)cc1)n2Cc1ccc(C)cc1
InChIInChI=1S/C28H24N2O/c1-20-8-10-21(11-9-20)19-30-27-17-16-25(31-2)18-26(27)29-28(30)24-14-12-23(13-15-24)22-6-4-3-5-7-22/h3-18H,19H2,1-2H3
InChIKeyPQZXVHJQFVKWAG-UHFFFAOYSA-N
XLogP6.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584
1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole
CID 170765439
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 25128386
5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
CID 57328802
[4-(1-benzylbenzimidazol-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 110494122
3-chloro-4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazole
CID 63383428

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole?
The IUPAC name of 5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole (CID 134083884) is 5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole.
What is the SMILES notation for 5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole?
The canonical SMILES for 5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole is COc1ccc2c(c1)nc(-c1ccc(-c3ccccc3)cc1)n2Cc1ccc(C)cc1.
What is the InChIKey of 5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole?
The InChIKey is PQZXVHJQFVKWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-20-8-10-21(11-9-20)19-30-27-17-16-25(31-2)18-26(27)29-28(30)24-14-12-23(13-15-24)22-6-4-3-5-7-22/h3-18H,19H2,1-2H3.
What are the key properties of 5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole?
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole has a molecular weight of 404.51 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole is sourced from PubChem (CID 134083884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).