2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide

C24H32BrN3O3 — CID 41100880

IUPAC2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
SMILESC[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O
InChIInChI=1S/C24H32BrN3O3/c1-24(17-9-8-10-18(25)15-17)22(30)27(23(31)26-24)16-21(29)28(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h8-10,15,19-20H,2-7,11-14,16H2,1H3,(H,26,31)/t24-/m1/s1
InChIKeyPVAOABXLTRJMIE-XMMPIXPASA-N
MW490.44 g/mol
LogP4.71
Rot. Bonds5

About 2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide

2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide (PubChem CID 41100880) has the molecular formula C24H32BrN3O3 and a molecular weight of 490.44 g/mol. Its IUPAC name is 2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
PubChem CID41100880
Molecular FormulaC24H32BrN3O3
Molecular Weight490.44 g/mol
Exact Mass489.16
IUPAC Name2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
SMILESC[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O
InChIInChI=1S/C24H32BrN3O3/c1-24(17-9-8-10-18(25)15-17)22(30)27(23(31)26-24)16-21(29)28(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h8-10,15,19-20H,2-7,11-14,16H2,1H3,(H,26,31)/t24-/m1/s1
InChIKeyPVAOABXLTRJMIE-XMMPIXPASA-N
XLogP4.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 4797085
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexylacetamide
CID 2081705
N,N-dicyclohexyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42964935
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 26716014
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 25323209
(5R)-5-(3-bromophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2701973
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 26918173
(5S)-5-(3-bromophenyl)-5-methyl-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178060
N-cyclohexyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 6993214
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 93011595
N,N-dicyclohexyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42982708
(5R)-5-(3-bromophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2702011

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide?
The IUPAC name of 2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide (CID 41100880) is 2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide.
What is the SMILES notation for 2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide?
The canonical SMILES for 2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide is C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)N(C2CCCCC2)C2CCCCC2)C1=O.
What is the InChIKey of 2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide?
The InChIKey is PVAOABXLTRJMIE-XMMPIXPASA-N. The full InChI is InChI=1S/C24H32BrN3O3/c1-24(17-9-8-10-18(25)15-17)22(30)27(23(31)26-24)16-21(29)28(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h8-10,15,19-20H,2-7,11-14,16H2,1H3,(H,26,31)/t24-/m1/s1.
What are the key properties of 2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide?
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide has a molecular weight of 490.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide is sourced from PubChem (CID 41100880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).