(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione

C19H17F2N3O3 — CID 2644309

IUPAC(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCc1ccccc1C=NN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C19H17F2N3O3/c1-12-5-3-4-6-13(12)11-22-24-16(25)19(2,23-18(24)26)14-7-9-15(10-8-14)27-17(20)21/h3-11,17H,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyQLYZMEBHAUQRAC-IBGZPJMESA-N
MW373.36 g/mol
LogP3.40
Rot. Bonds5

About (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione

(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 2644309) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione
PubChem CID2644309
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCc1ccccc1C=NN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C19H17F2N3O3/c1-12-5-3-4-6-13(12)11-22-24-16(25)19(2,23-18(24)26)14-7-9-15(10-8-14)27-17(20)21/h3-11,17H,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyQLYZMEBHAUQRAC-IBGZPJMESA-N
XLogP3.40
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.40
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)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione (CID 2644309) is (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione is Cc1ccccc1C=NN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is QLYZMEBHAUQRAC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-12-5-3-4-6-13(12)11-22-24-16(25)19(2,23-18(24)26)14-7-9-15(10-8-14)27-17(20)21/h3-11,17H,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione?
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 373.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 2644309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).