(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C19H23F2N3O4 — CID 7264931

IUPAC(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)C1
InChIInChI=1S/C19H23F2N3O4/c1-12-4-3-9-23(10-12)15(25)11-24-16(26)19(2,22-18(24)27)13-5-7-14(8-6-13)28-17(20)21/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,22,27)/t12-,19+/m0/s1
InChIKeyIXNLODIITWVWHQ-HXPMCKFVSA-N
MW395.41 g/mol
LogP2.31
Rot. Bonds5

About (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 7264931) has the molecular formula C19H23F2N3O4 and a molecular weight of 395.41 g/mol. Its IUPAC name is (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID7264931
Molecular FormulaC19H23F2N3O4
Molecular Weight395.41 g/mol
Exact Mass395.17
IUPAC Name(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)C1
InChIInChI=1S/C19H23F2N3O4/c1-12-4-3-9-23(10-12)15(25)11-24-16(26)19(2,22-18(24)27)13-5-7-14(8-6-13)28-17(20)21/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,22,27)/t12-,19+/m0/s1
InChIKeyIXNLODIITWVWHQ-HXPMCKFVSA-N
XLogP2.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 52.31
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

(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 2703300
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 2703261
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2703258
5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 17440464
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2584855
N-cyclopentyl-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2584997
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7264920
N-[(1R)-1-cyclopropylethyl]-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571449
N-[(2R)-butan-2-yl]-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2703220
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 52501154
N-cyclohexyl-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 2703303

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 7264931) is (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is C[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)C1.
What is the InChIKey of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is IXNLODIITWVWHQ-HXPMCKFVSA-N. The full InChI is InChI=1S/C19H23F2N3O4/c1-12-4-3-9-23(10-12)15(25)11-24-16(26)19(2,22-18(24)27)13-5-7-14(8-6-13)28-17(20)21/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,22,27)/t12-,19+/m0/s1.
What are the key properties of (5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 395.41 g/mol, XLogP of 2.31, 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-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 7264931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).