(5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione

C19H16F3N3O3 — CID 8003972

IUPAC(5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
SMILESCOc1ccc([C@]2(C)NC(=O)N(/N=C\c3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C19H16F3N3O3/c1-18(13-7-9-15(28-2)10-8-13)16(26)25(17(27)24-18)23-11-12-3-5-14(6-4-12)19(20,21)22/h3-11H,1-2H3,(H,24,27)/b23-11-/t18-/m0/s1
InChIKeyBNDCKAYHOGCZMO-JHHOAVTDSA-N
MW391.35 g/mol
LogP3.52
Rot. Bonds4

About (5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione

(5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 8003972) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is (5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
PubChem CID8003972
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name(5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione
SMILESCOc1ccc([C@]2(C)NC(=O)N(/N=C\c3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C19H16F3N3O3/c1-18(13-7-9-15(28-2)10-8-13)16(26)25(17(27)24-18)23-11-12-3-5-14(6-4-12)19(20,21)22/h3-11H,1-2H3,(H,24,27)/b23-11-/t18-/m0/s1
InChIKeyBNDCKAYHOGCZMO-JHHOAVTDSA-N
XLogP3.52
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42995825
3-[(E)-benzylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18225564
(5R)-3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 9260939
N-[4-[(E)-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]iminomethyl]phenyl]acetamide
CID 42995815
(5R)-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 7939348
(5S)-3-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562560
5-(4-methoxyphenyl)-5-methyl-3-[(E)-(3-phenoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 42995827
(5R)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]imidazolidine-2,4-dione
CID 8980786
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(pyridin-4-ylmethylideneamino)imidazolidine-2,4-dione
CID 2695924
5-[4-(difluoromethoxy)phenyl]-3-[(E)-(3-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 42912687
(5S)-3-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 135562562
5-[4-(difluoromethoxy)phenyl]-3-[[4-(dimethylamino)phenyl]methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4239322

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione (CID 8003972) is (5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione is COc1ccc([C@]2(C)NC(=O)N(/N=C\c3ccc(C(F)(F)F)cc3)C2=O)cc1.
What is the InChIKey of (5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is BNDCKAYHOGCZMO-JHHOAVTDSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-18(13-7-9-15(28-2)10-8-13)16(26)25(17(27)24-18)23-11-12-3-5-14(6-4-12)19(20,21)22/h3-11H,1-2H3,(H,24,27)/b23-11-/t18-/m0/s1.
What are the key properties of (5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione?
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 391.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-methoxyphenyl)-5-methyl-3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 8003972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).