4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole

C23H22N2 — CID 175774431

IUPAC4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole
SMILESCc1ccc(-c2nc3c(C)cccc3n2CCc2ccccc2)cc1
InChIInChI=1S/C23H22N2/c1-17-11-13-20(14-12-17)23-24-22-18(2)7-6-10-21(22)25(23)16-15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3
InChIKeyFRSBSALOLDTTEC-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.56
Rot. Bonds4

About 4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole

4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole (PubChem CID 175774431) has the molecular formula C23H22N2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole
PubChem CID175774431
Molecular FormulaC23H22N2
Molecular Weight326.44 g/mol
Exact Mass326.18
IUPAC Name4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole
SMILESCc1ccc(-c2nc3c(C)cccc3n2CCc2ccccc2)cc1
InChIInChI=1S/C23H22N2/c1-17-11-13-20(14-12-17)23-24-22-18(2)7-6-10-21(22)25(23)16-15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3
InChIKeyFRSBSALOLDTTEC-UHFFFAOYSA-N
XLogP5.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole (CID 175774431) is 4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole is Cc1ccc(-c2nc3c(C)cccc3n2CCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole?
The InChIKey is FRSBSALOLDTTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2/c1-17-11-13-20(14-12-17)23-24-22-18(2)7-6-10-21(22)25(23)16-15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole?
4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole has a molecular weight of 326.44 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 175774431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).