1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

C27H30N2 — CID 4627406

IUPAC1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCc1ccccc1Cn1c(C(C)c2ccc(CC(C)C)cc2)nc2ccccc21
InChIInChI=1S/C27H30N2/c1-19(2)17-22-13-15-23(16-14-22)21(4)27-28-25-11-7-8-12-26(25)29(27)18-24-10-6-5-9-20(24)3/h5-16,19,21H,17-18H2,1-4H3
InChIKeyGWOAWJZWPLDIJD-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.74
Rot. Bonds6

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

1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (PubChem CID 4627406) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
PubChem CID4627406
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC Name1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCc1ccccc1Cn1c(C(C)c2ccc(CC(C)C)cc2)nc2ccccc21
InChIInChI=1S/C27H30N2/c1-19(2)17-22-13-15-23(16-14-22)21(4)27-28-25-11-7-8-12-26(25)29(27)18-24-10-6-5-9-20(24)3/h5-16,19,21H,17-18H2,1-4H3
InChIKeyGWOAWJZWPLDIJD-UHFFFAOYSA-N
XLogP6.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (CID 4627406) is 1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is Cc1ccccc1Cn1c(C(C)c2ccc(CC(C)C)cc2)nc2ccccc21.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The InChIKey is GWOAWJZWPLDIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2/c1-19(2)17-22-13-15-23(16-14-22)21(4)27-28-25-11-7-8-12-26(25)29(27)18-24-10-6-5-9-20(24)3/h5-16,19,21H,17-18H2,1-4H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole has a molecular weight of 382.55 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 4627406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).