3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione

C18H13Cl2F3N2O3 — CID 18682502

IUPAC3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione
SMILESCC1(Cc2ccc(OC(F)(F)F)cc2)NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C18H13Cl2F3N2O3/c1-17(9-10-2-4-14(5-3-10)28-18(21,22)23)15(26)25(16(27)24-17)13-7-11(19)6-12(20)8-13/h2-8H,9H2,1H3,(H,24,27)
InChIKeyYOBWCJNWHOUFKP-UHFFFAOYSA-N
MW433.21 g/mol
LogP4.95
Rot. Bonds4

About 3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione

3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 18682502) has the molecular formula C18H13Cl2F3N2O3 and a molecular weight of 433.21 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID18682502
Molecular FormulaC18H13Cl2F3N2O3
Molecular Weight433.21 g/mol
Exact Mass432.03
IUPAC Name3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione
SMILESCC1(Cc2ccc(OC(F)(F)F)cc2)NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C18H13Cl2F3N2O3/c1-17(9-10-2-4-14(5-3-10)28-18(21,22)23)15(26)25(16(27)24-17)13-7-11(19)6-12(20)8-13/h2-8H,9H2,1H3,(H,24,27)
InChIKeyYOBWCJNWHOUFKP-UHFFFAOYSA-N
XLogP4.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.21
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione (CID 18682502) is 3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione is CC1(Cc2ccc(OC(F)(F)F)cc2)NC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is YOBWCJNWHOUFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2O3/c1-17(9-10-2-4-14(5-3-10)28-18(21,22)23)15(26)25(16(27)24-17)13-7-11(19)6-12(20)8-13/h2-8H,9H2,1H3,(H,24,27).
What are the key properties of 3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione?
3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 433.21 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18682502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).