1-benzyl-2-(3-methylphenyl)benzimidazole

C21H18N2 — CID 1304171

IUPAC1-benzyl-2-(3-methylphenyl)benzimidazole
SMILESCc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1
InChIInChI=1S/C21H18N2/c1-16-8-7-11-18(14-16)21-22-19-12-5-6-13-20(19)23(21)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyMEIUBTSYVGSAPB-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.06
Rot. Bonds3

About 1-benzyl-2-(3-methylphenyl)benzimidazole

1-benzyl-2-(3-methylphenyl)benzimidazole (PubChem CID 1304171) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-benzyl-2-(3-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(3-methylphenyl)benzimidazole
PubChem CID1304171
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name1-benzyl-2-(3-methylphenyl)benzimidazole
SMILESCc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1
InChIInChI=1S/C21H18N2/c1-16-8-7-11-18(14-16)21-22-19-12-5-6-13-20(19)23(21)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyMEIUBTSYVGSAPB-UHFFFAOYSA-N
XLogP5.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(3-methylphenyl)benzimidazole?
The IUPAC name of 1-benzyl-2-(3-methylphenyl)benzimidazole (CID 1304171) is 1-benzyl-2-(3-methylphenyl)benzimidazole.
What is the SMILES notation for 1-benzyl-2-(3-methylphenyl)benzimidazole?
The canonical SMILES for 1-benzyl-2-(3-methylphenyl)benzimidazole is Cc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-2-(3-methylphenyl)benzimidazole?
The InChIKey is MEIUBTSYVGSAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-16-8-7-11-18(14-16)21-22-19-12-5-6-13-20(19)23(21)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3.
What are the key properties of 1-benzyl-2-(3-methylphenyl)benzimidazole?
1-benzyl-2-(3-methylphenyl)benzimidazole has a molecular weight of 298.39 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(3-methylphenyl)benzimidazole is sourced from PubChem (CID 1304171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).