5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole

C24H24N2 — CID 25128386

IUPAC5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
SMILESCc1ccc(Cn2c(-c3ccc(C)cc3)nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C24H24N2/c1-16-5-9-20(10-6-16)15-26-23-14-19(4)18(3)13-22(23)25-24(26)21-11-7-17(2)8-12-21/h5-14H,15H2,1-4H3
InChIKeyBOCQCDQCDDXGSZ-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.99
Rot. Bonds3

About 5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole

5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole (PubChem CID 25128386) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
PubChem CID25128386
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
SMILESCc1ccc(Cn2c(-c3ccc(C)cc3)nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C24H24N2/c1-16-5-9-20(10-6-16)15-26-23-14-19(4)18(3)13-22(23)25-24(26)21-11-7-17(2)8-12-21/h5-14H,15H2,1-4H3
InChIKeyBOCQCDQCDDXGSZ-UHFFFAOYSA-N
XLogP5.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole?
The IUPAC name of 5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole (CID 25128386) is 5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole is Cc1ccc(Cn2c(-c3ccc(C)cc3)nc3cc(C)c(C)cc32)cc1.
What is the InChIKey of 5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole?
The InChIKey is BOCQCDQCDDXGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-16-5-9-20(10-6-16)15-26-23-14-19(4)18(3)13-22(23)25-24(26)21-11-7-17(2)8-12-21/h5-14H,15H2,1-4H3.
What are the key properties of 5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole?
5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole has a molecular weight of 340.47 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 25128386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).