(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione

C18H15F2N3O4 — CID 2695906

IUPAC(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2ccccc2O)C1=O
InChIInChI=1S/C18H15F2N3O4/c1-18(12-6-8-13(9-7-12)27-16(19)20)15(25)23(17(26)22-18)21-10-11-4-2-3-5-14(11)24/h2-10,16,24H,1H3,(H,22,26)/t18-/m0/s1
InChIKeyCIIHZTOGJXAWLE-SFHVURJKSA-N
MW375.33 g/mol
LogP2.79
Rot. Bonds5

About (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione

(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 2695906) has the molecular formula C18H15F2N3O4 and a molecular weight of 375.33 g/mol. Its IUPAC name is (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID2695906
Molecular FormulaC18H15F2N3O4
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC Name(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2ccccc2O)C1=O
InChIInChI=1S/C18H15F2N3O4/c1-18(12-6-8-13(9-7-12)27-16(19)20)15(25)23(17(26)22-18)21-10-11-4-2-3-5-14(11)24/h2-10,16,24H,1H3,(H,22,26)/t18-/m0/s1
InChIKeyCIIHZTOGJXAWLE-SFHVURJKSA-N
XLogP2.79
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 2695906) is (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2ccccc2O)C1=O.
What is the InChIKey of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is CIIHZTOGJXAWLE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15F2N3O4/c1-18(12-6-8-13(9-7-12)27-16(19)20)15(25)23(17(26)22-18)21-10-11-4-2-3-5-14(11)24/h2-10,16,24H,1H3,(H,22,26)/t18-/m0/s1.
What are the key properties of (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 375.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2695906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).