1-(1-hexylbenzimidazol-2-yl)ethanol

C15H22N2O — CID 659083

IUPAC1-(1-hexylbenzimidazol-2-yl)ethanol
SMILESCCCCCCn1c(C(C)O)nc2ccccc21
InChIInChI=1S/C15H22N2O/c1-3-4-5-8-11-17-14-10-7-6-9-13(14)16-15(17)12(2)18/h6-7,9-10,12,18H,3-5,8,11H2,1-2H3
InChIKeyLNUMEZKUSAWDJM-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.67
Rot. Bonds6

About 1-(1-hexylbenzimidazol-2-yl)ethanol

1-(1-hexylbenzimidazol-2-yl)ethanol (PubChem CID 659083) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1-hexylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-hexylbenzimidazol-2-yl)ethanol
PubChem CID659083
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(1-hexylbenzimidazol-2-yl)ethanol
SMILESCCCCCCn1c(C(C)O)nc2ccccc21
InChIInChI=1S/C15H22N2O/c1-3-4-5-8-11-17-14-10-7-6-9-13(14)16-15(17)12(2)18/h6-7,9-10,12,18H,3-5,8,11H2,1-2H3
InChIKeyLNUMEZKUSAWDJM-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-hexylbenzimidazol-2-yl)ethanol 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 1-(1-hexylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(1-hexylbenzimidazol-2-yl)ethanol (CID 659083) is 1-(1-hexylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-hexylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(1-hexylbenzimidazol-2-yl)ethanol is CCCCCCn1c(C(C)O)nc2ccccc21.
What is the InChIKey of 1-(1-hexylbenzimidazol-2-yl)ethanol?
The InChIKey is LNUMEZKUSAWDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-4-5-8-11-17-14-10-7-6-9-13(14)16-15(17)12(2)18/h6-7,9-10,12,18H,3-5,8,11H2,1-2H3.
What are the key properties of 1-(1-hexylbenzimidazol-2-yl)ethanol?
1-(1-hexylbenzimidazol-2-yl)ethanol has a molecular weight of 246.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 659083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).