1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione

C15H26Cl2N2O2 — CID 54561396

IUPAC1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione
SMILESCCCCCCC1(CCCCCC)C(=O)N(Cl)C(=O)N1Cl
InChIInChI=1S/C15H26Cl2N2O2/c1-3-5-7-9-11-15(12-10-8-6-4-2)13(20)18(16)14(21)19(15)17/h3-12H2,1-2H3
InChIKeyZQULFQXFBPYJMO-UHFFFAOYSA-N
MW337.29 g/mol
LogP5.24
Rot. Bonds10

About 1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione

1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione (PubChem CID 54561396) has the molecular formula C15H26Cl2N2O2 and a molecular weight of 337.29 g/mol. Its IUPAC name is 1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione
PubChem CID54561396
Molecular FormulaC15H26Cl2N2O2
Molecular Weight337.29 g/mol
Exact Mass336.14
IUPAC Name1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione
SMILESCCCCCCC1(CCCCCC)C(=O)N(Cl)C(=O)N1Cl
InChIInChI=1S/C15H26Cl2N2O2/c1-3-5-7-9-11-15(12-10-8-6-4-2)13(20)18(16)14(21)19(15)17/h3-12H2,1-2H3
InChIKeyZQULFQXFBPYJMO-UHFFFAOYSA-N
XLogP5.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.29
LogP ≤ 55.24
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'}

Analyze 1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dibutyl-1,3-dichloroimidazolidine-2,4-dione
CID 22351148
1,3-dichloro-5-ethyl-5-propylimidazolidine-2,4-dione
CID 54230615
1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione
CID 54077958
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-hexyl-1,3-bis(2-hydroxyethyl)-5-methylimidazolidine-2,4-dione
CID 21324143
(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
5,5-dihexyl-1,3-diazinane-2,4,6-trione
CID 15536734
(3S)-3-methyl-3-pentyloxiran-2-one
CID 140973351

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione?
The IUPAC name of 1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione (CID 54561396) is 1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione is CCCCCCC1(CCCCCC)C(=O)N(Cl)C(=O)N1Cl.
What is the InChIKey of 1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione?
The InChIKey is ZQULFQXFBPYJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26Cl2N2O2/c1-3-5-7-9-11-15(12-10-8-6-4-2)13(20)18(16)14(21)19(15)17/h3-12H2,1-2H3.
What are the key properties of 1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione?
1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione has a molecular weight of 337.29 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5,5-dihexylimidazolidine-2,4-dione is sourced from PubChem (CID 54561396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).