1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one

C16H10Cl3F3N2O — CID 127029315

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
SMILESO=C1N(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H10Cl3F3N2O/c17-12-3-1-9(7-11(12)16(20,21)22)23-5-6-24(15(23)25)10-2-4-13(18)14(19)8-10/h1-4,7-8H,5-6H2
InChIKeyNEDCAATZUHEICH-UHFFFAOYSA-N
MW409.62 g/mol
LogP6.11
Rot. Bonds2

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one (PubChem CID 127029315) has the molecular formula C16H10Cl3F3N2O and a molecular weight of 409.62 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
PubChem CID127029315
Molecular FormulaC16H10Cl3F3N2O
Molecular Weight409.62 g/mol
Exact Mass407.98
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
SMILESO=C1N(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H10Cl3F3N2O/c17-12-3-1-9(7-11(12)16(20,21)22)23-5-6-24(15(23)25)10-2-4-13(18)14(19)8-10/h1-4,7-8H,5-6H2
InChIKeyNEDCAATZUHEICH-UHFFFAOYSA-N
XLogP6.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.62
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one (CID 127029315) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one is O=C1N(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
The InChIKey is NEDCAATZUHEICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3F3N2O/c17-12-3-1-9(7-11(12)16(20,21)22)23-5-6-24(15(23)25)10-2-4-13(18)14(19)8-10/h1-4,7-8H,5-6H2.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one has a molecular weight of 409.62 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 127029315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).