(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione

C23H19F2N3O4 — CID 2514881

IUPAC(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2ccccc2c1C=NN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C23H19F2N3O4/c1-23(15-8-10-16(11-9-15)32-21(24)25)20(29)28(22(30)27-23)26-13-18-17-6-4-3-5-14(17)7-12-19(18)31-2/h3-13,21H,1-2H3,(H,27,30)/t23-/m1/s1
InChIKeyDDKKNDFMFLXYJY-HSZRJFAPSA-N
MW439.42 g/mol
LogP4.25
Rot. Bonds6

About (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione

(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione (PubChem CID 2514881) has the molecular formula C23H19F2N3O4 and a molecular weight of 439.42 g/mol. Its IUPAC name is (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
PubChem CID2514881
Molecular FormulaC23H19F2N3O4
Molecular Weight439.42 g/mol
Exact Mass439.13
IUPAC Name(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2ccccc2c1C=NN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C23H19F2N3O4/c1-23(15-8-10-16(11-9-15)32-21(24)25)20(29)28(22(30)27-23)26-13-18-17-6-4-3-5-14(17)7-12-19(18)31-2/h3-13,21H,1-2H3,(H,27,30)/t23-/m1/s1
InChIKeyDDKKNDFMFLXYJY-HSZRJFAPSA-N
XLogP4.25
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione (CID 2514881) is (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione is COc1ccc2ccccc2c1C=NN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione?
The InChIKey is DDKKNDFMFLXYJY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H19F2N3O4/c1-23(15-8-10-16(11-9-15)32-21(24)25)20(29)28(22(30)27-23)26-13-18-17-6-4-3-5-14(17)7-12-19(18)31-2/h3-13,21H,1-2H3,(H,27,30)/t23-/m1/s1.
What are the key properties of (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione?
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione has a molecular weight of 439.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2514881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).