(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione

C22H17F2N3O3 — CID 2425126

IUPAC(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C22H17F2N3O3/c1-22(16-9-11-17(12-10-16)30-20(23)24)19(28)27(21(29)26-22)25-13-15-7-4-6-14-5-2-3-8-18(14)15/h2-13,20H,1H3,(H,26,29)/t22-/m1/s1
InChIKeyRRFNCNUQCLKOME-JOCHJYFZSA-N
MW409.39 g/mol
LogP4.24
Rot. Bonds5

About (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione

(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione (PubChem CID 2425126) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione
PubChem CID2425126
Molecular FormulaC22H17F2N3O3
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC Name(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C22H17F2N3O3/c1-22(16-9-11-17(12-10-16)30-20(23)24)19(28)27(21(29)26-22)25-13-15-7-4-6-14-5-2-3-8-18(14)15/h2-13,20H,1H3,(H,26,29)/t22-/m1/s1
InChIKeyRRFNCNUQCLKOME-JOCHJYFZSA-N
XLogP4.24
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.24
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 (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione (CID 2425126) is (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione is C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2cccc3ccccc23)C1=O.
What is the InChIKey of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione?
The InChIKey is RRFNCNUQCLKOME-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c1-22(16-9-11-17(12-10-16)30-20(23)24)19(28)27(21(29)26-22)25-13-15-7-4-6-14-5-2-3-8-18(14)15/h2-13,20H,1H3,(H,26,29)/t22-/m1/s1.
What are the key properties of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione?
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione has a molecular weight of 409.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione is sourced from PubChem (CID 2425126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).