(3-methylimidazol-4-yl)methanol

C5H8N2O — CID 2773450

IUPAC(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1CO
InChIInChI=1S/C5H8N2O/c1-7-4-6-2-5(7)3-8/h2,4,8H,3H2,1H3
InChIKeyPXGQMYCEAWZJJF-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.09
Rot. Bonds1

About (3-methylimidazol-4-yl)methanol

(3-methylimidazol-4-yl)methanol (PubChem CID 2773450) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)methanol
PubChem CID2773450
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1CO
InChIInChI=1S/C5H8N2O/c1-7-4-6-2-5(7)3-8/h2,4,8H,3H2,1H3
InChIKeyPXGQMYCEAWZJJF-UHFFFAOYSA-N
XLogP-0.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)methanol?
The IUPAC name of (3-methylimidazol-4-yl)methanol (CID 2773450) is (3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (3-methylimidazol-4-yl)methanol?
The canonical SMILES for (3-methylimidazol-4-yl)methanol is Cn1cncc1CO.
What is the InChIKey of (3-methylimidazol-4-yl)methanol?
The InChIKey is PXGQMYCEAWZJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-7-4-6-2-5(7)3-8/h2,4,8H,3H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)methanol?
(3-methylimidazol-4-yl)methanol has a molecular weight of 112.13 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 2773450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).