(1-methylimidazol-4-yl)methanol

C5H8N2O — CID 7060524

IUPAC(1-methylimidazol-4-yl)methanol
SMILESCn1cnc(CO)c1
InChIInChI=1S/C5H8N2O/c1-7-2-5(3-8)6-4-7/h2,4,8H,3H2,1H3
InChIKeyNLEAEGDBKRBJAP-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.09
Rot. Bonds1

About (1-methylimidazol-4-yl)methanol

(1-methylimidazol-4-yl)methanol (PubChem CID 7060524) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)methanol
PubChem CID7060524
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(1-methylimidazol-4-yl)methanol
SMILESCn1cnc(CO)c1
InChIInChI=1S/C5H8N2O/c1-7-2-5(3-8)6-4-7/h2,4,8H,3H2,1H3
InChIKeyNLEAEGDBKRBJAP-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 (1-methylimidazol-4-yl)methanol?
The IUPAC name of (1-methylimidazol-4-yl)methanol (CID 7060524) is (1-methylimidazol-4-yl)methanol.
What is the SMILES notation for (1-methylimidazol-4-yl)methanol?
The canonical SMILES for (1-methylimidazol-4-yl)methanol is Cn1cnc(CO)c1.
What is the InChIKey of (1-methylimidazol-4-yl)methanol?
The InChIKey is NLEAEGDBKRBJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-7-2-5(3-8)6-4-7/h2,4,8H,3H2,1H3.
What are the key properties of (1-methylimidazol-4-yl)methanol?
(1-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 (1-methylimidazol-4-yl)methanol is sourced from PubChem (CID 7060524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).