2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole

C30H28N2O — CID 16987277

IUPAC2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
SMILESCc1ccc(OCCCn2c(C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C30H28N2O/c1-23-17-19-26(20-18-23)33-22-10-21-32-28-16-9-8-15-27(28)31-30(32)29(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-9,11-20,29H,10,21-22H2,1H3
InChIKeyHPBRNHFRVUKXNW-UHFFFAOYSA-N
MW432.57 g/mol
LogP6.99
Rot. Bonds8

About 2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole

2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole (PubChem CID 16987277) has the molecular formula C30H28N2O and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
PubChem CID16987277
Molecular FormulaC30H28N2O
Molecular Weight432.57 g/mol
Exact Mass432.22
IUPAC Name2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole
SMILESCc1ccc(OCCCn2c(C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C30H28N2O/c1-23-17-19-26(20-18-23)33-22-10-21-32-28-16-9-8-15-27(28)31-30(32)29(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-9,11-20,29H,10,21-22H2,1H3
InChIKeyHPBRNHFRVUKXNW-UHFFFAOYSA-N
XLogP6.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-benzhydryl-1-[3-(4-methylphenoxy)propyl]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

2-benzhydryl-1-[3-(4-tert-butylphenoxy)propyl]benzimidazole
CID 16987281
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306
(1R)-1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 6998441
1-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]propan-1-ol
CID 3161879
(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
1-[4-(4-methylphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 18879423
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
2-[(4-methylphenoxy)methyl]-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998239
[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995174
2-benzhydryl-1-hexadecylbenzimidazole
CID 16987201

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole (CID 16987277) is 2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole is Cc1ccc(OCCCn2c(C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole?
The InChIKey is HPBRNHFRVUKXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O/c1-23-17-19-26(20-18-23)33-22-10-21-32-28-16-9-8-15-27(28)31-30(32)29(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-9,11-20,29H,10,21-22H2,1H3.
What are the key properties of 2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole?
2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole has a molecular weight of 432.57 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1-[3-(4-methylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 16987277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).