1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione

C19H22N2O4 — CID 60581705

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCOc1cccc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c1
InChIInChI=1S/C19H22N2O4/c1-25-16-9-5-8-15(12-16)13-21-18(23)17(22)20(19(21)24)11-10-14-6-3-2-4-7-14/h5-6,8-9,12H,2-4,7,10-11,13H2,1H3
InChIKeyIMLRPVOFGRWXKM-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.88
Rot. Bonds6

About 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione

1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione (PubChem CID 60581705) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
PubChem CID60581705
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
SMILESCOc1cccc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c1
InChIInChI=1S/C19H22N2O4/c1-25-16-9-5-8-15(12-16)13-21-18(23)17(22)20(19(21)24)11-10-14-6-3-2-4-7-14/h5-6,8-9,12H,2-4,7,10-11,13H2,1H3
InChIKeyIMLRPVOFGRWXKM-UHFFFAOYSA-N
XLogP2.88
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione
CID 84602746
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 52937766
1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4,5-trione
CID 18099885
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-1-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 20891814
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 53043191
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 2140693
methyl (4Z)-1-[2-(cyclohexen-1-yl)ethyl]-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
CID 126067008
methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate
CID 1262163
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885561
4-amino-2-[(3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 850937
7,18-bis[(3-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 20661232

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione (CID 60581705) is 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione is COc1cccc(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is IMLRPVOFGRWXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-25-16-9-5-8-15(12-16)13-21-18(23)17(22)20(19(21)24)11-10-14-6-3-2-4-7-14/h5-6,8-9,12H,2-4,7,10-11,13H2,1H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione?
1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 342.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 60581705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).