1-(1-ethylimidazol-2-yl)ethanol

C7H12N2O — CID 23564054

IUPAC1-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1C(C)O
InChIInChI=1S/C7H12N2O/c1-3-9-5-4-8-7(9)6(2)10/h4-6,10H,3H2,1-2H3
InChIKeyJCNZYWWCECNSKF-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.96
Rot. Bonds2

About 1-(1-ethylimidazol-2-yl)ethanol

1-(1-ethylimidazol-2-yl)ethanol (PubChem CID 23564054) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)ethanol
PubChem CID23564054
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1C(C)O
InChIInChI=1S/C7H12N2O/c1-3-9-5-4-8-7(9)6(2)10/h4-6,10H,3H2,1-2H3
InChIKeyJCNZYWWCECNSKF-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 1-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)ethanol (CID 23564054) is 1-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)ethanol is CCn1ccnc1C(C)O.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is JCNZYWWCECNSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-9-5-4-8-7(9)6(2)10/h4-6,10H,3H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)ethanol?
1-(1-ethylimidazol-2-yl)ethanol 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 1-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 23564054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).