1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione

C19H21FN2O5 — CID 8607614

IUPAC1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
SMILESCOc1ccc(C(=O)CN2C(=O)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1F
InChIInChI=1S/C19H21FN2O5/c1-11-5-3-4-6-14(11)22-18(25)17(24)21(19(22)26)10-15(23)12-7-8-16(27-2)13(20)9-12/h7-9,11,14H,3-6,10H2,1-2H3/t11-,14-/m0/s1
InChIKeyNFZVMPMSTKIWML-FZMZJTMJSA-N
MW376.38 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione

1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione (PubChem CID 8607614) has the molecular formula C19H21FN2O5 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
PubChem CID8607614
Molecular FormulaC19H21FN2O5
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
SMILESCOc1ccc(C(=O)CN2C(=O)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1F
InChIInChI=1S/C19H21FN2O5/c1-11-5-3-4-6-14(11)22-18(25)17(24)21(19(22)26)10-15(23)12-7-8-16(27-2)13(20)9-12/h7-9,11,14H,3-6,10H2,1-2H3/t11-,14-/m0/s1
InChIKeyNFZVMPMSTKIWML-FZMZJTMJSA-N
XLogP2.39
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 8607595
1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7549299
1-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7800200
(5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
CID 9332785
N-(2,5-difluorophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799757
N-(5-chloro-2-fluorophenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799669
2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227568
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
N-methyl-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800024
4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione
CID 66062364
1-(3-fluoro-4-methoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62972902
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597987

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione (CID 8607614) is 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione is COc1ccc(C(=O)CN2C(=O)C(=O)N([C@H]3CCCC[C@@H]3C)C2=O)cc1F.
What is the InChIKey of 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione?
The InChIKey is NFZVMPMSTKIWML-FZMZJTMJSA-N. The full InChI is InChI=1S/C19H21FN2O5/c1-11-5-3-4-6-14(11)22-18(25)17(24)21(19(22)26)10-15(23)12-7-8-16(27-2)13(20)9-12/h7-9,11,14H,3-6,10H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione?
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione has a molecular weight of 376.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 8607614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).