2-(2-butyl-1H-imidazol-5-yl)ethanol

C9H16N2O — CID 19690120

IUPAC2-(2-butyl-1H-imidazol-5-yl)ethanol
SMILESCCCCc1ncc(CCO)[nH]1
InChIInChI=1S/C9H16N2O/c1-2-3-4-9-10-7-8(11-9)5-6-12/h7,12H,2-6H2,1H3,(H,10,11)
InChIKeyOGURCZBTVASTII-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.29
Rot. Bonds5

About 2-(2-butyl-1H-imidazol-5-yl)ethanol

2-(2-butyl-1H-imidazol-5-yl)ethanol (PubChem CID 19690120) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(2-butyl-1H-imidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-butyl-1H-imidazol-5-yl)ethanol
PubChem CID19690120
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(2-butyl-1H-imidazol-5-yl)ethanol
SMILESCCCCc1ncc(CCO)[nH]1
InChIInChI=1S/C9H16N2O/c1-2-3-4-9-10-7-8(11-9)5-6-12/h7,12H,2-6H2,1H3,(H,10,11)
InChIKeyOGURCZBTVASTII-UHFFFAOYSA-N
XLogP1.29
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-butyl-1H-imidazol-5-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 2-(2-butyl-1H-imidazol-5-yl)ethanol?
The IUPAC name of 2-(2-butyl-1H-imidazol-5-yl)ethanol (CID 19690120) is 2-(2-butyl-1H-imidazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-butyl-1H-imidazol-5-yl)ethanol?
The canonical SMILES for 2-(2-butyl-1H-imidazol-5-yl)ethanol is CCCCc1ncc(CCO)[nH]1.
What is the InChIKey of 2-(2-butyl-1H-imidazol-5-yl)ethanol?
The InChIKey is OGURCZBTVASTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-3-4-9-10-7-8(11-9)5-6-12/h7,12H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(2-butyl-1H-imidazol-5-yl)ethanol?
2-(2-butyl-1H-imidazol-5-yl)ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-1H-imidazol-5-yl)ethanol is sourced from PubChem (CID 19690120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).