(5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione

C18H12ClF3N2O2 — CID 1277904

IUPAC(5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H12ClF3N2O2/c19-14-6-4-11(5-7-14)10-24-16(25)15(23-17(24)26)9-12-2-1-3-13(8-12)18(20,21)22/h1-9H,10H2,(H,23,26)/b15-9-
InChIKeyQETFAUYWTBQHKG-DHDCSXOGSA-N
MW380.75 g/mol
LogP4.45
Rot. Bonds3

About (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 1277904) has the molecular formula C18H12ClF3N2O2 and a molecular weight of 380.75 g/mol. Its IUPAC name is (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID1277904
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.75 g/mol
Exact Mass380.05
IUPAC Name(5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H12ClF3N2O2/c19-14-6-4-11(5-7-14)10-24-16(25)15(23-17(24)26)9-12-2-1-3-13(8-12)18(20,21)22/h1-9H,10H2,(H,23,26)/b15-9-
InChIKeyQETFAUYWTBQHKG-DHDCSXOGSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-3-[(2-fluorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 2187981
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697530
(5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 126251684
(5E)-3-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 126132686
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18873952
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 6269109
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6383605
(5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126213334
3-benzyl-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 4076719
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126073621
(5E)-3-[(2-fluorophenyl)methyl]-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
CID 126077666

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione (CID 1277904) is (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C\c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is QETFAUYWTBQHKG-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2/c19-14-6-4-11(5-7-14)10-24-16(25)15(23-17(24)26)9-12-2-1-3-13(8-12)18(20,21)22/h1-9H,10H2,(H,23,26)/b15-9-.
What are the key properties of (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione?
(5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 380.75 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1277904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).