2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole

C22H20N2 — CID 1309483

IUPAC2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccccc1Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H20N2/c1-17-9-5-6-12-19(17)16-24-21-14-8-7-13-20(21)23-22(24)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKeyNKTBEUHGZIUDMY-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.98
Rot. Bonds4

About 2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole

2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole (PubChem CID 1309483) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole
PubChem CID1309483
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole
SMILESCc1ccccc1Cn1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H20N2/c1-17-9-5-6-12-19(17)16-24-21-14-8-7-13-20(21)23-22(24)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKeyNKTBEUHGZIUDMY-UHFFFAOYSA-N
XLogP4.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole (CID 1309483) is 2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole is Cc1ccccc1Cn1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole?
The InChIKey is NKTBEUHGZIUDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-17-9-5-6-12-19(17)16-24-21-14-8-7-13-20(21)23-22(24)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3.
What are the key properties of 2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole?
2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole has a molecular weight of 312.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(2-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 1309483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).