1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one

C12H13ClF3N3O — CID 28535952

IUPAC1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H13ClF3N3O/c13-8-1-2-10(9(7-8)12(14,15)16)17-3-5-19-6-4-18-11(19)20/h1-2,7,17H,3-6H2,(H,18,20)
InChIKeyUEPBWTRKIGNTTR-UHFFFAOYSA-N
MW307.70 g/mol
LogP2.80
Rot. Bonds4

About 1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one

1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one (PubChem CID 28535952) has the molecular formula C12H13ClF3N3O and a molecular weight of 307.70 g/mol. Its IUPAC name is 1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
PubChem CID28535952
Molecular FormulaC12H13ClF3N3O
Molecular Weight307.70 g/mol
Exact Mass307.07
IUPAC Name1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H13ClF3N3O/c13-8-1-2-10(9(7-8)12(14,15)16)17-3-5-19-6-4-18-11(19)20/h1-2,7,17H,3-6H2,(H,18,20)
InChIKeyUEPBWTRKIGNTTR-UHFFFAOYSA-N
XLogP2.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromo-4-chloroanilino)ethyl]imidazolidin-2-one
CID 81271578
1-[2-[2-fluoro-5-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one
CID 63037530
5-[4-[2-(2-oxoimidazolidin-1-yl)ethylamino]-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137475191
3-chloro-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]benzonitrile
CID 107807856
1-[2-(2,3,5-trifluoroanilino)ethyl]imidazolidin-2-one
CID 62809560
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]urea
CID 72931434
1-(2-anilinoethyl)imidazolidin-2-one
CID 28565231
1-[2-(4-bromo-2-methylanilino)ethyl]imidazolidin-2-one
CID 28572437
1-[2-[(4-chlorophenyl)methylamino]ethyl]imidazolidin-2-one
CID 28738658
1-[2-(2,3,4,5,6-pentafluoroanilino)ethyl]imidazolidin-2-one
CID 115564338
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686958
1-[2-(4-methoxy-2-methylanilino)ethyl]imidazolidin-2-one
CID 62873354

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one (CID 28535952) is 1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one?
The InChIKey is UEPBWTRKIGNTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O/c13-8-1-2-10(9(7-8)12(14,15)16)17-3-5-19-6-4-18-11(19)20/h1-2,7,17H,3-6H2,(H,18,20).
What are the key properties of 1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one?
1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one has a molecular weight of 307.70 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-chloro-2-(trifluoromethyl)anilino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 28535952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).