1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole

C22H20N2 — CID 12620886

IUPAC1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
SMILESCc1ccc(-c2nc3cc(C)ccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-16-8-11-19(12-9-16)22-23-20-14-17(2)10-13-21(20)24(22)15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3
InChIKeyPPYVYIMJGNKBRT-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.37
Rot. Bonds3

About 1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole

1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole (PubChem CID 12620886) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
PubChem CID12620886
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
SMILESCc1ccc(-c2nc3cc(C)ccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-16-8-11-19(12-9-16)22-23-20-14-17(2)10-13-21(20)24(22)15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3
InChIKeyPPYVYIMJGNKBRT-UHFFFAOYSA-N
XLogP5.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole?
The IUPAC name of 1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole (CID 12620886) is 1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole.
What is the SMILES notation for 1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole?
The canonical SMILES for 1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole is Cc1ccc(-c2nc3cc(C)ccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole?
The InChIKey is PPYVYIMJGNKBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-16-8-11-19(12-9-16)22-23-20-14-17(2)10-13-21(20)24(22)15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3.
What are the key properties of 1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole?
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole has a molecular weight of 312.42 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole is sourced from PubChem (CID 12620886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).