2-(1H-imidazol-2-yl)butan-1-ol

C7H12N2O — CID 22229143

IUPAC2-(1H-imidazol-2-yl)butan-1-ol
SMILESCCC(CO)c1ncc[nH]1
InChIInChI=1S/C7H12N2O/c1-2-6(5-10)7-8-3-4-9-7/h3-4,6,10H,2,5H2,1H3,(H,8,9)
InChIKeyKYGCIRSDISLDCE-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.90
Rot. Bonds3

About 2-(1H-imidazol-2-yl)butan-1-ol

2-(1H-imidazol-2-yl)butan-1-ol (PubChem CID 22229143) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)butan-1-ol
PubChem CID22229143
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(1H-imidazol-2-yl)butan-1-ol
SMILESCCC(CO)c1ncc[nH]1
InChIInChI=1S/C7H12N2O/c1-2-6(5-10)7-8-3-4-9-7/h3-4,6,10H,2,5H2,1H3,(H,8,9)
InChIKeyKYGCIRSDISLDCE-UHFFFAOYSA-N
XLogP0.90
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1H-imidazol-2-yl)butan-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 2-(1H-imidazol-2-yl)butan-1-ol?
The IUPAC name of 2-(1H-imidazol-2-yl)butan-1-ol (CID 22229143) is 2-(1H-imidazol-2-yl)butan-1-ol.
What is the SMILES notation for 2-(1H-imidazol-2-yl)butan-1-ol?
The canonical SMILES for 2-(1H-imidazol-2-yl)butan-1-ol is CCC(CO)c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)butan-1-ol?
The InChIKey is KYGCIRSDISLDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-6(5-10)7-8-3-4-9-7/h3-4,6,10H,2,5H2,1H3,(H,8,9).
What are the key properties of 2-(1H-imidazol-2-yl)butan-1-ol?
2-(1H-imidazol-2-yl)butan-1-ol has a molecular weight of 140.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)butan-1-ol is sourced from PubChem (CID 22229143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).