1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane

C26H23Cl2F3N2O3 — CID 145417227

IUPAC1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane
SMILESC1CCC1.O=C1N(c2ccc(Cl)cc2)CC(O)(c2cccc(OC(F)(F)F)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C22H15Cl2F3N2O3.C4H8/c23-15-4-8-17(9-5-15)28-13-21(31,14-2-1-3-19(12-14)32-22(25,26)27)29(20(28)30)18-10-6-16(24)7-11-18;1-2-4-3-1/h1-12,31H,13H2;1-4H2
InChIKeyGVGGERRTKUMELU-UHFFFAOYSA-N
MW539.38 g/mol
LogP7.74
Rot. Bonds4

About 1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane

1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane (PubChem CID 145417227) has the molecular formula C26H23Cl2F3N2O3 and a molecular weight of 539.38 g/mol. Its IUPAC name is 1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane.

Molecular Properties

Compound Name1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane
PubChem CID145417227
Molecular FormulaC26H23Cl2F3N2O3
Molecular Weight539.38 g/mol
Exact Mass538.10
IUPAC Name1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane
SMILESC1CCC1.O=C1N(c2ccc(Cl)cc2)CC(O)(c2cccc(OC(F)(F)F)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C22H15Cl2F3N2O3.C4H8/c23-15-4-8-17(9-5-15)28-13-21(31,14-2-1-3-19(12-14)32-22(25,26)27)29(20(28)30)18-10-6-16(24)7-11-18;1-2-4-3-1/h1-12,31H,13H2;1-4H2
InChIKeyGVGGERRTKUMELU-UHFFFAOYSA-N
XLogP7.74
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.38
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-bis(4-chlorophenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one
CID 145417058
2-hydroxy-2-methyl-6-(methylamino)-6-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
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(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 70821754
1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 145417064
2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride
CID 153349122
4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
CID 23149910
4-[3-(trifluoromethoxy)phenyl]oxepan-4-ol
CID 65079305
4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 63407060
N-[(7aS)-7a-methyl-3-oxo-2-[4-(trifluoromethoxy)phenyl]-1,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-6-yl]-4-chlorobenzamide
CID 163440671
2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[4.5]decan-1-one
CID 141342179
3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine
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1-[3-chloro-5-(trifluoromethoxy)phenyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane?
The IUPAC name of 1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane (CID 145417227) is 1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane.
What is the SMILES notation for 1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane?
The canonical SMILES for 1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane is C1CCC1.O=C1N(c2ccc(Cl)cc2)CC(O)(c2cccc(OC(F)(F)F)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of 1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane?
The InChIKey is GVGGERRTKUMELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F3N2O3.C4H8/c23-15-4-8-17(9-5-15)28-13-21(31,14-2-1-3-19(12-14)32-22(25,26)27)29(20(28)30)18-10-6-16(24)7-11-18;1-2-4-3-1/h1-12,31H,13H2;1-4H2.
What are the key properties of 1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane?
1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane has a molecular weight of 539.38 g/mol, XLogP of 7.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one;cyclobutane is sourced from PubChem (CID 145417227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).