5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione

C18H21F2N3O4 — CID 42886948

IUPAC5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O
InChIInChI=1S/C18H21F2N3O4/c1-18(12-5-7-13(8-6-12)27-16(19)20)15(25)23(17(26)21-18)11-14(24)22-9-3-2-4-10-22/h5-8,16H,2-4,9-11H2,1H3,(H,21,26)
InChIKeyAXXGUWAHNLRSGU-UHFFFAOYSA-N
MW381.38 g/mol
LogP2.07
Rot. Bonds5

About 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione

5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione (PubChem CID 42886948) has the molecular formula C18H21F2N3O4 and a molecular weight of 381.38 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
PubChem CID42886948
Molecular FormulaC18H21F2N3O4
Molecular Weight381.38 g/mol
Exact Mass381.15
IUPAC Name5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O
InChIInChI=1S/C18H21F2N3O4/c1-18(12-5-7-13(8-6-12)27-16(19)20)15(25)23(17(26)21-18)11-14(24)22-9-3-2-4-10-22/h5-8,16H,2-4,9-11H2,1H3,(H,21,26)
InChIKeyAXXGUWAHNLRSGU-UHFFFAOYSA-N
XLogP2.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

Hydantoin, 5-(p-isopentoxyphenyl)-5-methyl-
CID 2835307
5-(4-Butoxyphenyl)-5-methyl-2,4-imidazolidinedione
CID 50211
5-(4-Methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 211351
5-(4-Butoxyphenyl)-2-hydroxy-3,5-dimethyl-3,5-dihydro-4H-imidazol-4-one
CID 3077547
5,5-Bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 2339366
5-(4-Isopropoxy-phenyl)-imidazolidine-2,4-dione
CID 578335
Hydantoin, 5-(p-isopropoxyphenyl)-5-methyl-
CID 3052153
5-(4-Methoxyphenyl)imidazolidine-2,4-dione
CID 265445
Idanpramine
CID 58521
3-[2-(4-Methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 8005518
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2483511
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2550380

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione (CID 42886948) is 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
The InChIKey is AXXGUWAHNLRSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O4/c1-18(12-5-7-13(8-6-12)27-16(19)20)15(25)23(17(26)21-18)11-14(24)22-9-3-2-4-10-22/h5-8,16H,2-4,9-11H2,1H3,(H,21,26).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione has a molecular weight of 381.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42886948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).