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

C19H23F2N3O4 — CID 2703261

IUPAC(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCCCCC2)C1=O
InChIInChI=1S/C19H23F2N3O4/c1-19(13-6-8-14(9-7-13)28-17(20)21)16(26)24(18(27)22-19)12-15(25)23-10-4-2-3-5-11-23/h6-9,17H,2-5,10-12H2,1H3,(H,22,27)/t19-/m1/s1
InChIKeyNSLXLIPWQOGUJY-LJQANCHMSA-N
MW395.41 g/mol
LogP2.46
Rot. Bonds5

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

(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 2703261) has the molecular formula C19H23F2N3O4 and a molecular weight of 395.41 g/mol. Its IUPAC name is (5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID2703261
Molecular FormulaC19H23F2N3O4
Molecular Weight395.41 g/mol
Exact Mass395.17
IUPAC Name(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCCCCC2)C1=O
InChIInChI=1S/C19H23F2N3O4/c1-19(13-6-8-14(9-7-13)28-17(20)21)16(26)24(18(27)22-19)12-15(25)23-10-4-2-3-5-11-23/h6-9,17H,2-5,10-12H2,1H3,(H,22,27)/t19-/m1/s1
InChIKeyNSLXLIPWQOGUJY-LJQANCHMSA-N
XLogP2.46
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 ≤ 52.46
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)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2703258
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7264931
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2584855
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7264920
(5R)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7802517
3-[2-(azocan-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 51215204
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
N-[(2R)-butan-2-yl]-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2703220
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethylacetamide
CID 2409253
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
N-cyclopentyl-2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2584997

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione (CID 2703261) is (5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCCCCC2)C1=O.
What is the InChIKey of (5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NSLXLIPWQOGUJY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23F2N3O4/c1-19(13-6-8-14(9-7-13)28-17(20)21)16(26)24(18(27)22-19)12-15(25)23-10-4-2-3-5-11-23/h6-9,17H,2-5,10-12H2,1H3,(H,22,27)/t19-/m1/s1.
What are the key properties of (5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione?
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 395.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2703261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).