2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C20H24BrN3O3 — CID 4800196

IUPAC2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O
InChIInChI=1S/C20H24BrN3O3/c1-20(15-8-5-9-16(21)12-15)18(26)24(19(27)23-20)13-17(25)22-11-10-14-6-3-2-4-7-14/h5-6,8-9,12H,2-4,7,10-11,13H2,1H3,(H,22,25)(H,23,27)
InChIKeyKZCORIJMXZJDNW-UHFFFAOYSA-N
MW434.33 g/mol
LogP3.22
Rot. Bonds6

About 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 4800196) has the molecular formula C20H24BrN3O3 and a molecular weight of 434.33 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID4800196
Molecular FormulaC20H24BrN3O3
Molecular Weight434.33 g/mol
Exact Mass433.10
IUPAC Name2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O
InChIInChI=1S/C20H24BrN3O3/c1-20(15-8-5-9-16(21)12-15)18(26)24(19(27)23-20)13-17(25)22-11-10-14-6-3-2-4-7-14/h5-6,8-9,12H,2-4,7,10-11,13H2,1H3,(H,22,25)(H,23,27)
InChIKeyKZCORIJMXZJDNW-UHFFFAOYSA-N
XLogP3.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(4-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 27044420
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2579989
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2540069
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702965
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439994
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 2711011
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-prop-2-ynylacetamide
CID 43032745
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95166273
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 2081705
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 2701996
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4-dioxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 34063377

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 4800196) is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CC1(c2cccc(Br)c2)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O.
What is the InChIKey of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is KZCORIJMXZJDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3/c1-20(15-8-5-9-16(21)12-15)18(26)24(19(27)23-20)13-17(25)22-11-10-14-6-3-2-4-7-14/h5-6,8-9,12H,2-4,7,10-11,13H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 434.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 4800196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).