1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione

C17H30Br2N2O2 — CID 54077958

IUPAC1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione
SMILESCCCCCCCC1(CCCCCCC)C(=O)N(Br)C(=O)N1Br
InChIInChI=1S/C17H30Br2N2O2/c1-3-5-7-9-11-13-17(14-12-10-8-6-4-2)15(22)20(18)16(23)21(17)19/h3-14H2,1-2H3
InChIKeyMLARSXNKPPMTQY-UHFFFAOYSA-N
MW454.25 g/mol
LogP6.33
Rot. Bonds12

About 1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione

1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione (PubChem CID 54077958) has the molecular formula C17H30Br2N2O2 and a molecular weight of 454.25 g/mol. Its IUPAC name is 1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione
PubChem CID54077958
Molecular FormulaC17H30Br2N2O2
Molecular Weight454.25 g/mol
Exact Mass452.07
IUPAC Name1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione
SMILESCCCCCCCC1(CCCCCCC)C(=O)N(Br)C(=O)N1Br
InChIInChI=1S/C17H30Br2N2O2/c1-3-5-7-9-11-13-17(14-12-10-8-6-4-2)15(22)20(18)16(23)21(17)19/h3-14H2,1-2H3
InChIKeyMLARSXNKPPMTQY-UHFFFAOYSA-N
XLogP6.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.25
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione
CID 54561396
6-octyl-1,3,5-triazatricyclo[3.1.1.03,6]heptane-2,4,7-trione
CID 140750328
4-hydroxy-3,3,5,5-tetra(nonyl)-1-octylpiperazine-2,6-dione
CID 163625566
1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione
CID 54361411
5,5-dibutyl-1,3-dichloroimidazolidine-2,4-dione
CID 22351148
2-bromo-1,1-dihexylcyclopropane
CID 71500159
1,3-dihexyl-3-sulfanylpyrrolidine-2,5-dione
CID 87207528
(3R)-3-methyl-3-pentadecyloxiran-2-one
CID 140973350
1,3-diheptyl-1,3-diazetidine-2,4-dione
CID 18730690
5-dodecyl-5-hydroxy-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 101170696
5-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione
CID 21324143
5,5-dihexyl-1,3-diazinane-2,4,6-trione
CID 15536734

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione?
The IUPAC name of 1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione (CID 54077958) is 1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione is CCCCCCCC1(CCCCCCC)C(=O)N(Br)C(=O)N1Br.
What is the InChIKey of 1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione?
The InChIKey is MLARSXNKPPMTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30Br2N2O2/c1-3-5-7-9-11-13-17(14-12-10-8-6-4-2)15(22)20(18)16(23)21(17)19/h3-14H2,1-2H3.
What are the key properties of 1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione?
1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione has a molecular weight of 454.25 g/mol, XLogP of 6.33, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione is sourced from PubChem (CID 54077958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).