2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole

C30H28N2 — CID 16987223

IUPAC2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
SMILESCC(C)c1ccc(Cn2c(C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C30H28N2/c1-22(2)24-19-17-23(18-20-24)21-32-28-16-10-9-15-27(28)31-30(32)29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-20,22,29H,21H2,1-2H3
InChIKeyZLPSGLWCPXZDOH-UHFFFAOYSA-N
MW416.57 g/mol
LogP7.39
Rot. Bonds6

About 2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole

2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole (PubChem CID 16987223) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
PubChem CID16987223
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC Name2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
SMILESCC(C)c1ccc(Cn2c(C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C30H28N2/c1-22(2)24-19-17-23(18-20-24)21-32-28-16-10-9-15-27(28)31-30(32)29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-20,22,29H,21H2,1-2H3
InChIKeyZLPSGLWCPXZDOH-UHFFFAOYSA-N
XLogP7.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole
CID 16987217
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
2-benzhydryl-1-hexadecylbenzimidazole
CID 16987201
2-(azepan-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18885373
2-(1-chloroethyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 43666398
2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16987231
2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole
CID 70368929
1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole
CID 20930565

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole?
The IUPAC name of 2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole (CID 16987223) is 2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole is CC(C)c1ccc(Cn2c(C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole?
The InChIKey is ZLPSGLWCPXZDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2/c1-22(2)24-19-17-23(18-20-24)21-32-28-16-10-9-15-27(28)31-30(32)29(25-11-5-3-6-12-25)26-13-7-4-8-14-26/h3-20,22,29H,21H2,1-2H3.
What are the key properties of 2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole?
2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole has a molecular weight of 416.57 g/mol, XLogP of 7.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole is sourced from PubChem (CID 16987223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).