1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one

C17H13Cl2F3N2O2 — CID 138627326

IUPAC1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one
SMILESCC1(C(F)(F)F)C(O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2F3N2O2/c1-16(17(20,21)22)14(25)23(12-6-2-10(18)3-7-12)15(26)24(16)13-8-4-11(19)5-9-13/h2-9,14,25H,1H3
InChIKeyAOQSYCQKQIYMPK-UHFFFAOYSA-N
MW405.20 g/mol
LogP5.08
Rot. Bonds2

About 1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one

1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one (PubChem CID 138627326) has the molecular formula C17H13Cl2F3N2O2 and a molecular weight of 405.20 g/mol. Its IUPAC name is 1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one
PubChem CID138627326
Molecular FormulaC17H13Cl2F3N2O2
Molecular Weight405.20 g/mol
Exact Mass404.03
IUPAC Name1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one
SMILESCC1(C(F)(F)F)C(O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2F3N2O2/c1-16(17(20,21)22)14(25)23(12-6-2-10(18)3-7-12)15(26)24(16)13-8-4-11(19)5-9-13/h2-9,14,25H,1H3
InChIKeyAOQSYCQKQIYMPK-UHFFFAOYSA-N
XLogP5.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.20
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one?
The IUPAC name of 1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one (CID 138627326) is 1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one.
What is the SMILES notation for 1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one?
The canonical SMILES for 1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one is CC1(C(F)(F)F)C(O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one?
The InChIKey is AOQSYCQKQIYMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2O2/c1-16(17(20,21)22)14(25)23(12-6-2-10(18)3-7-12)15(26)24(16)13-8-4-11(19)5-9-13/h2-9,14,25H,1H3.
What are the key properties of 1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one?
1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one has a molecular weight of 405.20 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-chlorophenyl)-5-hydroxy-4-methyl-4-(trifluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 138627326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).