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

C19H24BrN3O3 — CID 3327844

IUPAC2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O)C1CCCCC1
InChIInChI=1S/C19H24BrN3O3/c1-19(13-7-6-8-14(20)11-13)17(25)23(18(26)21-19)12-16(24)22(2)15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H,21,26)
InChIKeyLILRKLUEODKQEN-UHFFFAOYSA-N
MW422.32 g/mol
LogP3.01
Rot. Bonds4

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

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide (PubChem CID 3327844) has the molecular formula C19H24BrN3O3 and a molecular weight of 422.32 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide
PubChem CID3327844
Molecular FormulaC19H24BrN3O3
Molecular Weight422.32 g/mol
Exact Mass421.10
IUPAC Name2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O)C1CCCCC1
InChIInChI=1S/C19H24BrN3O3/c1-19(13-7-6-8-14(20)11-13)17(25)23(18(26)21-19)12-16(24)22(2)15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H,21,26)
InChIKeyLILRKLUEODKQEN-UHFFFAOYSA-N
XLogP3.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide (CID 3327844) is 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide is CN(C(=O)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O)C1CCCCC1.
What is the InChIKey of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is LILRKLUEODKQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3/c1-19(13-7-6-8-14(20)11-13)17(25)23(18(26)21-19)12-16(24)22(2)15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H,21,26).
What are the key properties of 2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide?
2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 422.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 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-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 3327844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).