1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione

C17H19ClN2O3 — CID 7800249

IUPAC1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
SMILESC[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H19ClN2O3/c1-11-4-2-3-5-14(11)20-16(22)15(21)19(17(20)23)10-12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3/t11-,14-/m1/s1
InChIKeyJXNNNXMSUTXYJM-BXUZGUMPSA-N
MW334.80 g/mol
LogP3.21
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione

1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione (PubChem CID 7800249) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
PubChem CID7800249
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
SMILESC[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C17H19ClN2O3/c1-11-4-2-3-5-14(11)20-16(22)15(21)19(17(20)23)10-12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3/t11-,14-/m1/s1
InChIKeyJXNNNXMSUTXYJM-BXUZGUMPSA-N
XLogP3.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[(1S,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7800251
1-[(1R,2S)-2-methylcyclohexyl]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4,5-trione
CID 7800254
1-[(4-bromo-2-fluorophenyl)methyl]-3-[(1S,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7799933
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 7800277
(5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
CID 9332785
N-[2-(4-chlorophenoxy)ethyl]-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 11929755
N-(5-chloro-2-fluorophenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799669
N-(5-chloro-2-methylphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800369
N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800623
1-[(1R,2S)-2-methylcyclohexyl]-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4,5-trione
CID 7799803
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8564536
N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800329

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione (CID 7800249) is 1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione is C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione?
The InChIKey is JXNNNXMSUTXYJM-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11-4-2-3-5-14(11)20-16(22)15(21)19(17(20)23)10-12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3/t11-,14-/m1/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione?
1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione has a molecular weight of 334.80 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 7800249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).