(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione

C18H15F2N3O5 — CID 2695931

IUPAC(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2cccc(O)c2O)C1=O
InChIInChI=1S/C18H15F2N3O5/c1-18(11-5-7-12(8-6-11)28-16(19)20)15(26)23(17(27)22-18)21-9-10-3-2-4-13(24)14(10)25/h2-9,16,24-25H,1H3,(H,22,27)/t18-/m1/s1
InChIKeySCIJRWNLXCMSJV-GOSISDBHSA-N
MW391.33 g/mol
LogP2.50
Rot. Bonds5

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

(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 2695931) has the molecular formula C18H15F2N3O5 and a molecular weight of 391.33 g/mol. Its IUPAC name is (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID2695931
Molecular FormulaC18H15F2N3O5
Molecular Weight391.33 g/mol
Exact Mass391.10
IUPAC Name(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2cccc(O)c2O)C1=O
InChIInChI=1S/C18H15F2N3O5/c1-18(11-5-7-12(8-6-11)28-16(19)20)15(26)23(17(27)22-18)21-9-10-3-2-4-13(24)14(10)25/h2-9,16,24-25H,1H3,(H,22,27)/t18-/m1/s1
InChIKeySCIJRWNLXCMSJV-GOSISDBHSA-N
XLogP2.50
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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 (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 2695931) is (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2cccc(O)c2O)C1=O.
What is the InChIKey of (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is SCIJRWNLXCMSJV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15F2N3O5/c1-18(11-5-7-12(8-6-11)28-16(19)20)15(26)23(17(27)22-18)21-9-10-3-2-4-13(24)14(10)25/h2-9,16,24-25H,1H3,(H,22,27)/t18-/m1/s1.
What are the key properties of (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione?
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 391.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2,3-dihydroxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2695931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).