1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one

C21H14ClF3N2O3S — CID 46833795

IUPAC1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)c(-c3cccc(OC(F)(F)F)c3)s2)CN1
InChIInChI=1S/C21H14ClF3N2O3S/c22-14-5-1-3-12(7-14)16-9-17(20(29)27-10-18(28)26-11-27)31-19(16)13-4-2-6-15(8-13)30-21(23,24)25/h1-9H,10-11H2,(H,26,28)
InChIKeyHHLCSTSRZUMDIV-UHFFFAOYSA-N
MW466.87 g/mol
LogP5.16
Rot. Bonds4

About 1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one

1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one (PubChem CID 46833795) has the molecular formula C21H14ClF3N2O3S and a molecular weight of 466.87 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one
PubChem CID46833795
Molecular FormulaC21H14ClF3N2O3S
Molecular Weight466.87 g/mol
Exact Mass466.04
IUPAC Name1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)c(-c3cccc(OC(F)(F)F)c3)s2)CN1
InChIInChI=1S/C21H14ClF3N2O3S/c22-14-5-1-3-12(7-14)16-9-17(20(29)27-10-18(28)26-11-27)31-19(16)13-4-2-6-15(8-13)30-21(23,24)25/h1-9H,10-11H2,(H,26,28)
InChIKeyHHLCSTSRZUMDIV-UHFFFAOYSA-N
XLogP5.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.87
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one
CID 50942916
3-[3-(3-chloro-4-fluorophenyl)-5-(4-oxoimidazolidine-1-carbonyl)thiophen-2-yl]-5-fluorobenzonitrile
CID 46834076
3-chloro-5-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-one
CID 133091466
5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
CID 134627963
1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one
CID 90843127
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
2-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134619623
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
CID 58064791
1-chloro-3-nitro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 134629842
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118828304

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one?
The IUPAC name of 1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one (CID 46833795) is 1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one.
What is the SMILES notation for 1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one?
The canonical SMILES for 1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one is O=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)c(-c3cccc(OC(F)(F)F)c3)s2)CN1.
What is the InChIKey of 1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one?
The InChIKey is HHLCSTSRZUMDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N2O3S/c22-14-5-1-3-12(7-14)16-9-17(20(29)27-10-18(28)26-11-27)31-19(16)13-4-2-6-15(8-13)30-21(23,24)25/h1-9H,10-11H2,(H,26,28).
What are the key properties of 1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one?
1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one has a molecular weight of 466.87 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one is sourced from PubChem (CID 46833795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).