4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol

C9H18N2O — CID 68800106

IUPAC4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol
SMILESCCN1C=CN(CCCCO)C1
InChIInChI=1S/C9H18N2O/c1-2-10-6-7-11(9-10)5-3-4-8-12/h6-7,12H,2-5,8-9H2,1H3
InChIKeyKXOXMAREUDSBGH-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.83
Rot. Bonds5

About 4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol

4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol (PubChem CID 68800106) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol
PubChem CID68800106
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol
SMILESCCN1C=CN(CCCCO)C1
InChIInChI=1S/C9H18N2O/c1-2-10-6-7-11(9-10)5-3-4-8-12/h6-7,12H,2-5,8-9H2,1H3
InChIKeyKXOXMAREUDSBGH-UHFFFAOYSA-N
XLogP0.83
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-ethyl-2H-imidazol-1-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 4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol?
The IUPAC name of 4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol (CID 68800106) is 4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol.
What is the SMILES notation for 4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol?
The canonical SMILES for 4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol is CCN1C=CN(CCCCO)C1.
What is the InChIKey of 4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol?
The InChIKey is KXOXMAREUDSBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-10-6-7-11(9-10)5-3-4-8-12/h6-7,12H,2-5,8-9H2,1H3.
What are the key properties of 4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol?
4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol has a molecular weight of 170.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2H-imidazol-1-yl)butan-1-ol is sourced from PubChem (CID 68800106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).