(3-ethylimidazol-4-yl)methanol

C6H10N2O — CID 22988641

IUPAC(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1CO
InChIInChI=1S/C6H10N2O/c1-2-8-5-7-3-6(8)4-9/h3,5,9H,2,4H2,1H3
InChIKeyFRNCAMZAPFINSG-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.40
Rot. Bonds2

About (3-ethylimidazol-4-yl)methanol

(3-ethylimidazol-4-yl)methanol (PubChem CID 22988641) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)methanol
PubChem CID22988641
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(3-ethylimidazol-4-yl)methanol
SMILESCCn1cncc1CO
InChIInChI=1S/C6H10N2O/c1-2-8-5-7-3-6(8)4-9/h3,5,9H,2,4H2,1H3
InChIKeyFRNCAMZAPFINSG-UHFFFAOYSA-N
XLogP0.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethylimidazol-4-yl)methanol?
The IUPAC name of (3-ethylimidazol-4-yl)methanol (CID 22988641) is (3-ethylimidazol-4-yl)methanol.
What is the SMILES notation for (3-ethylimidazol-4-yl)methanol?
The canonical SMILES for (3-ethylimidazol-4-yl)methanol is CCn1cncc1CO.
What is the InChIKey of (3-ethylimidazol-4-yl)methanol?
The InChIKey is FRNCAMZAPFINSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-8-5-7-3-6(8)4-9/h3,5,9H,2,4H2,1H3.
What are the key properties of (3-ethylimidazol-4-yl)methanol?
(3-ethylimidazol-4-yl)methanol has a molecular weight of 126.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)methanol is sourced from PubChem (CID 22988641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).