4-(2-propan-2-ylimidazol-1-yl)butan-1-ol

C10H18N2O — CID 43509700

IUPAC4-(2-propan-2-ylimidazol-1-yl)butan-1-ol
SMILESCC(C)c1nccn1CCCCO
InChIInChI=1S/C10H18N2O/c1-9(2)10-11-5-7-12(10)6-3-4-8-13/h5,7,9,13H,3-4,6,8H2,1-2H3
InChIKeyFLPWLJLKHGQAAS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.78
Rot. Bonds5

About 4-(2-propan-2-ylimidazol-1-yl)butan-1-ol

4-(2-propan-2-ylimidazol-1-yl)butan-1-ol (PubChem CID 43509700) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(2-propan-2-ylimidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(2-propan-2-ylimidazol-1-yl)butan-1-ol
PubChem CID43509700
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-(2-propan-2-ylimidazol-1-yl)butan-1-ol
SMILESCC(C)c1nccn1CCCCO
InChIInChI=1S/C10H18N2O/c1-9(2)10-11-5-7-12(10)6-3-4-8-13/h5,7,9,13H,3-4,6,8H2,1-2H3
InChIKeyFLPWLJLKHGQAAS-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylimidazol-1-yl)butan-1-ol?
The IUPAC name of 4-(2-propan-2-ylimidazol-1-yl)butan-1-ol (CID 43509700) is 4-(2-propan-2-ylimidazol-1-yl)butan-1-ol.
What is the SMILES notation for 4-(2-propan-2-ylimidazol-1-yl)butan-1-ol?
The canonical SMILES for 4-(2-propan-2-ylimidazol-1-yl)butan-1-ol is CC(C)c1nccn1CCCCO.
What is the InChIKey of 4-(2-propan-2-ylimidazol-1-yl)butan-1-ol?
The InChIKey is FLPWLJLKHGQAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)10-11-5-7-12(10)6-3-4-8-13/h5,7,9,13H,3-4,6,8H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylimidazol-1-yl)butan-1-ol?
4-(2-propan-2-ylimidazol-1-yl)butan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylimidazol-1-yl)butan-1-ol is sourced from PubChem (CID 43509700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).