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

C7H12N2O — CID 66117551

IUPAC1-(3-methylimidazol-4-yl)propan-1-ol
SMILESCCC(O)c1cncn1C
InChIInChI=1S/C7H12N2O/c1-3-7(10)6-4-8-5-9(6)2/h4-5,7,10H,3H2,1-2H3
InChIKeyZDTGMDQWMJINOX-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.86
Rot. Bonds2

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

1-(3-methylimidazol-4-yl)propan-1-ol (PubChem CID 66117551) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)propan-1-ol
PubChem CID66117551
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(3-methylimidazol-4-yl)propan-1-ol
SMILESCCC(O)c1cncn1C
InChIInChI=1S/C7H12N2O/c1-3-7(10)6-4-8-5-9(6)2/h4-5,7,10H,3H2,1-2H3
InChIKeyZDTGMDQWMJINOX-UHFFFAOYSA-N
XLogP0.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)propan-1-ol?
The IUPAC name of 1-(3-methylimidazol-4-yl)propan-1-ol (CID 66117551) is 1-(3-methylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(3-methylimidazol-4-yl)propan-1-ol is CCC(O)c1cncn1C.
What is the InChIKey of 1-(3-methylimidazol-4-yl)propan-1-ol?
The InChIKey is ZDTGMDQWMJINOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-7(10)6-4-8-5-9(6)2/h4-5,7,10H,3H2,1-2H3.
What are the key properties of 1-(3-methylimidazol-4-yl)propan-1-ol?
1-(3-methylimidazol-4-yl)propan-1-ol has a molecular weight of 140.19 g/mol, XLogP of 0.86, 2 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)propan-1-ol is sourced from PubChem (CID 66117551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).