3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol

C20H24N2O2 — CID 2946738

IUPAC3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C20H24N2O2/c23-15-8-13-20-21-18-11-4-5-12-19(18)22(20)14-6-7-16-24-17-9-2-1-3-10-17/h1-5,9-12,23H,6-8,13-16H2
InChIKeyDYDOUCDDAOXQAH-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.82
Rot. Bonds9

About 3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol

3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol (PubChem CID 2946738) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol
PubChem CID2946738
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol
SMILESOCCCc1nc2ccccc2n1CCCCOc1ccccc1
InChIInChI=1S/C20H24N2O2/c23-15-8-13-20-21-18-11-4-5-12-19(18)22(20)14-6-7-16-24-17-9-2-1-3-10-17/h1-5,9-12,23H,6-8,13-16H2
InChIKeyDYDOUCDDAOXQAH-UHFFFAOYSA-N
XLogP3.82
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol 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 3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol (CID 2946738) is 3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol is OCCCc1nc2ccccc2n1CCCCOc1ccccc1.
What is the InChIKey of 3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol?
The InChIKey is DYDOUCDDAOXQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-15-8-13-20-21-18-11-4-5-12-19(18)22(20)14-6-7-16-24-17-9-2-1-3-10-17/h1-5,9-12,23H,6-8,13-16H2.
What are the key properties of 3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol?
3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol has a molecular weight of 324.42 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-phenoxybutyl)benzimidazol-2-yl]propan-1-ol is sourced from PubChem (CID 2946738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).