(5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

C18H15F2N3O3 — CID 2695810

IUPAC(5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc([C@]2(C)NC(=O)N(N=Cc3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C18H15F2N3O3/c1-18(12-4-7-14(26-2)8-5-12)16(24)23(17(25)22-18)21-10-11-3-6-13(19)9-15(11)20/h3-10H,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyRQARXQVJTUXGDE-SFHVURJKSA-N
MW359.33 g/mol
LogP2.77
Rot. Bonds4

About (5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 2695810) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is (5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID2695810
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name(5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc([C@]2(C)NC(=O)N(N=Cc3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C18H15F2N3O3/c1-18(12-4-7-14(26-2)8-5-12)16(24)23(17(25)22-18)21-10-11-3-6-13(19)9-15(11)20/h3-10H,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyRQARXQVJTUXGDE-SFHVURJKSA-N
XLogP2.77
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione (CID 2695810) is (5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is COc1ccc([C@]2(C)NC(=O)N(N=Cc3ccc(F)cc3F)C2=O)cc1.
What is the InChIKey of (5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is RQARXQVJTUXGDE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-18(12-4-7-14(26-2)8-5-12)16(24)23(17(25)22-18)21-10-11-3-6-13(19)9-15(11)20/h3-10H,1-2H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 359.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2,4-difluorophenyl)methylideneamino]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2695810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).