5-butoxy-1-phenylbenzimidazole

C17H18N2O — CID 5328500

IUPAC5-butoxy-1-phenylbenzimidazole
SMILESCCCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C17H18N2O/c1-2-3-11-20-15-9-10-17-16(12-15)18-13-19(17)14-7-5-4-6-8-14/h4-10,12-13H,2-3,11H2,1H3
InChIKeyWVIHMNHJKYEWJL-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.20
Rot. Bonds5

About 5-butoxy-1-phenylbenzimidazole

5-butoxy-1-phenylbenzimidazole (PubChem CID 5328500) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-butoxy-1-phenylbenzimidazole.

Molecular Properties

Compound Name5-butoxy-1-phenylbenzimidazole
PubChem CID5328500
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-butoxy-1-phenylbenzimidazole
SMILESCCCCOc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C17H18N2O/c1-2-3-11-20-15-9-10-17-16(12-15)18-13-19(17)14-7-5-4-6-8-14/h4-10,12-13H,2-3,11H2,1H3
InChIKeyWVIHMNHJKYEWJL-UHFFFAOYSA-N
XLogP4.20
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-butoxy-1-phenylbenzimidazole 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 5-butoxy-1-phenylbenzimidazole?
The IUPAC name of 5-butoxy-1-phenylbenzimidazole (CID 5328500) is 5-butoxy-1-phenylbenzimidazole.
What is the SMILES notation for 5-butoxy-1-phenylbenzimidazole?
The canonical SMILES for 5-butoxy-1-phenylbenzimidazole is CCCCOc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 5-butoxy-1-phenylbenzimidazole?
The InChIKey is WVIHMNHJKYEWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-3-11-20-15-9-10-17-16(12-15)18-13-19(17)14-7-5-4-6-8-14/h4-10,12-13H,2-3,11H2,1H3.
What are the key properties of 5-butoxy-1-phenylbenzimidazole?
5-butoxy-1-phenylbenzimidazole has a molecular weight of 266.34 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-1-phenylbenzimidazole is sourced from PubChem (CID 5328500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).