1-(3-methylimidazol-4-yl)hexan-1-ol

C10H18N2O — CID 66117976

IUPAC1-(3-methylimidazol-4-yl)hexan-1-ol
SMILESCCCCCC(O)c1cncn1C
InChIInChI=1S/C10H18N2O/c1-3-4-5-6-10(13)9-7-11-8-12(9)2/h7-8,10,13H,3-6H2,1-2H3
InChIKeyWEJJBXHFCTXRBQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.03
Rot. Bonds5

About 1-(3-methylimidazol-4-yl)hexan-1-ol

1-(3-methylimidazol-4-yl)hexan-1-ol (PubChem CID 66117976) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)hexan-1-ol
PubChem CID66117976
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(3-methylimidazol-4-yl)hexan-1-ol
SMILESCCCCCC(O)c1cncn1C
InChIInChI=1S/C10H18N2O/c1-3-4-5-6-10(13)9-7-11-8-12(9)2/h7-8,10,13H,3-6H2,1-2H3
InChIKeyWEJJBXHFCTXRBQ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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 1-(3-methylimidazol-4-yl)hexan-1-ol?
The IUPAC name of 1-(3-methylimidazol-4-yl)hexan-1-ol (CID 66117976) is 1-(3-methylimidazol-4-yl)hexan-1-ol.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)hexan-1-ol?
The canonical SMILES for 1-(3-methylimidazol-4-yl)hexan-1-ol is CCCCCC(O)c1cncn1C.
What is the InChIKey of 1-(3-methylimidazol-4-yl)hexan-1-ol?
The InChIKey is WEJJBXHFCTXRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-5-6-10(13)9-7-11-8-12(9)2/h7-8,10,13H,3-6H2,1-2H3.
What are the key properties of 1-(3-methylimidazol-4-yl)hexan-1-ol?
1-(3-methylimidazol-4-yl)hexan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)hexan-1-ol is sourced from PubChem (CID 66117976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).