1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol

C11H20N2O — CID 79744876

IUPAC1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
SMILESCCC(C)C(O)Cc1nccn1CC
InChIInChI=1S/C11H20N2O/c1-4-9(3)10(14)8-11-12-6-7-13(11)5-2/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyODZDAZXIEQZHLY-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.85
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol

1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol (PubChem CID 79744876) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
PubChem CID79744876
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
SMILESCCC(C)C(O)Cc1nccn1CC
InChIInChI=1S/C11H20N2O/c1-4-9(3)10(14)8-11-12-6-7-13(11)5-2/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyODZDAZXIEQZHLY-UHFFFAOYSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312573
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
3-(1-ethylimidazol-2-yl)-2-hydroxypropanoic acid
CID 79744530
5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one
CID 79760691
3-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 64666437
5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol
CID 105112379
[1-(1-ethylimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105226285
1-[(1-ethylimidazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 115641698
3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 116712374
[3-ethyl-1-(1-ethylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105321751
1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 107005397
2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol (CID 79744876) is 1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol is CCC(C)C(O)Cc1nccn1CC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol?
The InChIKey is ODZDAZXIEQZHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-9(3)10(14)8-11-12-6-7-13(11)5-2/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol?
1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 1.85, 5 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)-3-methylpentan-2-ol is sourced from PubChem (CID 79744876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).