1-ethyl-3-(2-hydroxypropyl)imidazol-2-one

C8H14N2O2 — CID 80581237

IUPAC1-ethyl-3-(2-hydroxypropyl)imidazol-2-one
SMILESCCn1ccn(CC(C)O)c1=O
InChIInChI=1S/C8H14N2O2/c1-3-9-4-5-10(8(9)12)6-7(2)11/h4-5,7,11H,3,6H2,1-2H3
InChIKeyAINSAVJMBZLHAX-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.05
Rot. Bonds3

About 1-ethyl-3-(2-hydroxypropyl)imidazol-2-one

1-ethyl-3-(2-hydroxypropyl)imidazol-2-one (PubChem CID 80581237) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-ethyl-3-(2-hydroxypropyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-hydroxypropyl)imidazol-2-one
PubChem CID80581237
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-ethyl-3-(2-hydroxypropyl)imidazol-2-one
SMILESCCn1ccn(CC(C)O)c1=O
InChIInChI=1S/C8H14N2O2/c1-3-9-4-5-10(8(9)12)6-7(2)11/h4-5,7,11H,3,6H2,1-2H3
InChIKeyAINSAVJMBZLHAX-UHFFFAOYSA-N
XLogP0.05
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-2-hydroxypropyl)-3-methyl-2,3-dihydro-1H-imidazol-2-one
CID 165595262
1-ethyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165595567
1-(3-fluoro-2-hydroxypropyl)-3-(propan-2-yl)-2,3-dihydro-1H-imidazol-2-one
CID 165595894
1-cyclopropyl-3-(3-fluoro-2-hydroxypropyl)-2,3-dihydro-1H-imidazol-2-one
CID 165600794
1-(2-Hydroxyethyl)-1,3-dimethylimidazol-1-ium-2-one
CID 20262694
4-hydroxy-3-(2-hydroxypropyl)-1H-imidazol-2-one
CID 54148736
1-(3-methyl-2H-imidazol-1-yl)propan-2-ol
CID 67439903
1,3-Bis(2-hydroxyethyl)imidazol-2-one
CID 69117995
1-(2,3-dimethyl-2H-imidazol-1-yl)propan-2-ol
CID 69235069
1-[3-(2-hydroxypropyl)-2H-imidazol-1-yl]propan-2-ol
CID 69236129
1,3-Bis(1-hydroxyethyl)imidazol-2-one
CID 69336359
1-(2-Hydroxyethyl)-3-methylimidazol-2-one
CID 69453594

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-hydroxypropyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(2-hydroxypropyl)imidazol-2-one (CID 80581237) is 1-ethyl-3-(2-hydroxypropyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(2-hydroxypropyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(2-hydroxypropyl)imidazol-2-one is CCn1ccn(CC(C)O)c1=O.
What is the InChIKey of 1-ethyl-3-(2-hydroxypropyl)imidazol-2-one?
The InChIKey is AINSAVJMBZLHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-9-4-5-10(8(9)12)6-7(2)11/h4-5,7,11H,3,6H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-hydroxypropyl)imidazol-2-one?
1-ethyl-3-(2-hydroxypropyl)imidazol-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-hydroxypropyl)imidazol-2-one is sourced from PubChem (CID 80581237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).