(5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione

C17H21FN2O3 — CID 2633906

IUPAC(5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N[C@@H](C3CCCCC3)C2=O)cc1F
InChIInChI=1S/C17H21FN2O3/c1-23-14-8-7-11(9-13(14)18)10-20-16(21)15(19-17(20)22)12-5-3-2-4-6-12/h7-9,12,15H,2-6,10H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyQICVTXKZGBHBIK-HNNXBMFYSA-N
MW320.36 g/mol
LogP2.84
Rot. Bonds4

About (5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione

(5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 2633906) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is (5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione
PubChem CID2633906
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N[C@@H](C3CCCCC3)C2=O)cc1F
InChIInChI=1S/C17H21FN2O3/c1-23-14-8-7-11(9-13(14)18)10-20-16(21)15(19-17(20)22)12-5-3-2-4-6-12/h7-9,12,15H,2-6,10H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyQICVTXKZGBHBIK-HNNXBMFYSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66075685
3-benzyl-5-cyclobutylimidazolidine-2,4-dione
CID 130900496
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
CID 71836749
5-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916050
(3-fluoro-4-methoxyphenyl)methyl 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7906738
(4aR,7aS)-1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 120684122
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 92801693
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
(3aS,7aS)-2-[[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98226607
(3aR,7aS)-2-[[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98226606

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione (CID 2633906) is (5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione is COc1ccc(CN2C(=O)N[C@@H](C3CCCCC3)C2=O)cc1F.
What is the InChIKey of (5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is QICVTXKZGBHBIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-23-14-8-7-11(9-13(14)18)10-20-16(21)15(19-17(20)22)12-5-3-2-4-6-12/h7-9,12,15H,2-6,10H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione?
(5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 320.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclohexyl-3-[(3-fluoro-4-methoxyphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 2633906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).