1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole

C26H28N2O — CID 18879096

IUPAC1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole
SMILESCc1ccc(C(C)C)c(OCCCn2c(-c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C26H28N2O/c1-19(2)22-15-14-20(3)18-25(22)29-17-9-16-28-24-13-8-7-12-23(24)27-26(28)21-10-5-4-6-11-21/h4-8,10-15,18-19H,9,16-17H2,1-3H3
InChIKeyRZOXYUGSVGFLBB-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.60
Rot. Bonds7

About 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole

1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole (PubChem CID 18879096) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole
PubChem CID18879096
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole
SMILESCc1ccc(C(C)C)c(OCCCn2c(-c3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C26H28N2O/c1-19(2)22-15-14-20(3)18-25(22)29-17-9-16-28-24-13-8-7-12-23(24)27-26(28)21-10-5-4-6-11-21/h4-8,10-15,18-19H,9,16-17H2,1-3H3
InChIKeyRZOXYUGSVGFLBB-UHFFFAOYSA-N
XLogP6.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole 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-(3-bromophenyl)-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazole
CID 18879111
2-(3-methylphenyl)-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 17000779
2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 17000802
2-(2-methylphenyl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
CID 18879213
(1S)-1-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 92716850
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-(trifluoromethyl)benzimidazole
CID 16996795
2-(furan-2-yl)-1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazole
CID 18879439
1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole
CID 17000547
1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]-2-(2-phenylethyl)benzimidazole
CID 18879267
[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995164
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
CID 17000799
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole?
The IUPAC name of 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole (CID 18879096) is 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole.
What is the SMILES notation for 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole?
The canonical SMILES for 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole is Cc1ccc(C(C)C)c(OCCCn2c(-c3ccccc3)nc3ccccc32)c1.
What is the InChIKey of 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole?
The InChIKey is RZOXYUGSVGFLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-19(2)22-15-14-20(3)18-25(22)29-17-9-16-28-24-13-8-7-12-23(24)27-26(28)21-10-5-4-6-11-21/h4-8,10-15,18-19H,9,16-17H2,1-3H3.
What are the key properties of 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole?
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole has a molecular weight of 384.52 g/mol, XLogP of 6.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-2-phenylbenzimidazole is sourced from PubChem (CID 18879096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).