(3-propan-2-ylimidazol-4-yl)methanol

C7H12N2O — CID 20568531

IUPAC(3-propan-2-ylimidazol-4-yl)methanol
SMILESCC(C)n1cncc1CO
InChIInChI=1S/C7H12N2O/c1-6(2)9-5-8-3-7(9)4-10/h3,5-6,10H,4H2,1-2H3
InChIKeyONPSVGKOIVAXHJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.96
Rot. Bonds2

About (3-propan-2-ylimidazol-4-yl)methanol

(3-propan-2-ylimidazol-4-yl)methanol (PubChem CID 20568531) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (3-propan-2-ylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-propan-2-ylimidazol-4-yl)methanol
PubChem CID20568531
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(3-propan-2-ylimidazol-4-yl)methanol
SMILESCC(C)n1cncc1CO
InChIInChI=1S/C7H12N2O/c1-6(2)9-5-8-3-7(9)4-10/h3,5-6,10H,4H2,1-2H3
InChIKeyONPSVGKOIVAXHJ-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylimidazol-4-yl)methanol?
The IUPAC name of (3-propan-2-ylimidazol-4-yl)methanol (CID 20568531) is (3-propan-2-ylimidazol-4-yl)methanol.
What is the SMILES notation for (3-propan-2-ylimidazol-4-yl)methanol?
The canonical SMILES for (3-propan-2-ylimidazol-4-yl)methanol is CC(C)n1cncc1CO.
What is the InChIKey of (3-propan-2-ylimidazol-4-yl)methanol?
The InChIKey is ONPSVGKOIVAXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)9-5-8-3-7(9)4-10/h3,5-6,10H,4H2,1-2H3.
What are the key properties of (3-propan-2-ylimidazol-4-yl)methanol?
(3-propan-2-ylimidazol-4-yl)methanol has a molecular weight of 140.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylimidazol-4-yl)methanol is sourced from PubChem (CID 20568531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).