1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one

C13H13ClN2O2 — CID 80580912

IUPAC1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(CC(=O)c2cccc(Cl)c2)c1=O
InChIInChI=1S/C13H13ClN2O2/c1-2-15-6-7-16(13(15)18)9-12(17)10-4-3-5-11(14)8-10/h3-8H,2,9H2,1H3
InChIKeyUXPARHXANATTET-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.21
Rot. Bonds4

About 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one

1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one (PubChem CID 80580912) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one
PubChem CID80580912
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(CC(=O)c2cccc(Cl)c2)c1=O
InChIInChI=1S/C13H13ClN2O2/c1-2-15-6-7-16(13(15)18)9-12(17)10-4-3-5-11(14)8-10/h3-8H,2,9H2,1H3
InChIKeyUXPARHXANATTET-UHFFFAOYSA-N
XLogP2.21
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928037
1-(3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744909
1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
CID 63554610
4-[2-(3-ethyl-2-oxoimidazol-1-yl)acetyl]benzonitrile
CID 80581056
1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 60623692
1-[2-(3-nitrophenyl)-2-oxoethyl]-3-propylimidazol-2-one
CID 80579322
1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone
CID 82791619
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 47255035
ethyl 2-[2-(3-chlorophenyl)-2-oxoethyl]sulfanylacetate
CID 43218423
3-[2-(3-chlorophenyl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835871
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one (CID 80580912) is 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one is CCn1ccn(CC(=O)c2cccc(Cl)c2)c1=O.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one?
The InChIKey is UXPARHXANATTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-15-6-7-16(13(15)18)9-12(17)10-4-3-5-11(14)8-10/h3-8H,2,9H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one?
1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one has a molecular weight of 264.71 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 80580912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).