2-(3-methylimidazol-4-yl)propan-2-ol

C7H12N2O — CID 84648525

IUPAC2-(3-methylimidazol-4-yl)propan-2-ol
SMILESCn1cncc1C(C)(C)O
InChIInChI=1S/C7H12N2O/c1-7(2,10)6-4-8-5-9(6)3/h4-5,10H,1-3H3
InChIKeyXTVCCQJYRXUVNH-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.65
Rot. Bonds1

About 2-(3-methylimidazol-4-yl)propan-2-ol

2-(3-methylimidazol-4-yl)propan-2-ol (PubChem CID 84648525) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)propan-2-ol
PubChem CID84648525
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-(3-methylimidazol-4-yl)propan-2-ol
SMILESCn1cncc1C(C)(C)O
InChIInChI=1S/C7H12N2O/c1-7(2,10)6-4-8-5-9(6)3/h4-5,10H,1-3H3
InChIKeyXTVCCQJYRXUVNH-UHFFFAOYSA-N
XLogP0.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)propan-2-ol?
The IUPAC name of 2-(3-methylimidazol-4-yl)propan-2-ol (CID 84648525) is 2-(3-methylimidazol-4-yl)propan-2-ol.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)propan-2-ol?
The canonical SMILES for 2-(3-methylimidazol-4-yl)propan-2-ol is Cn1cncc1C(C)(C)O.
What is the InChIKey of 2-(3-methylimidazol-4-yl)propan-2-ol?
The InChIKey is XTVCCQJYRXUVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(2,10)6-4-8-5-9(6)3/h4-5,10H,1-3H3.
What are the key properties of 2-(3-methylimidazol-4-yl)propan-2-ol?
2-(3-methylimidazol-4-yl)propan-2-ol has a molecular weight of 140.19 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)propan-2-ol is sourced from PubChem (CID 84648525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).