2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole

C22H20N2 — CID 15552557

IUPAC2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
SMILESCc1ccc(Cn2c(-c3ccc(C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2/c1-16-7-11-18(12-8-16)15-24-21-6-4-3-5-20(21)23-22(24)19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3
InChIKeyUVMQRFWHAZDRCC-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.37
Rot. Bonds3

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

2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole (PubChem CID 15552557) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
PubChem CID15552557
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
SMILESCc1ccc(Cn2c(-c3ccc(C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2/c1-16-7-11-18(12-8-16)15-24-21-6-4-3-5-20(21)23-22(24)19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3
InChIKeyUVMQRFWHAZDRCC-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 2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole (CID 15552557) is 2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole is Cc1ccc(Cn2c(-c3ccc(C)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole?
The InChIKey is UVMQRFWHAZDRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-16-7-11-18(12-8-16)15-24-21-6-4-3-5-20(21)23-22(24)19-13-9-17(2)10-14-19/h3-14H,15H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole?
2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]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 2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 15552557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).