5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione

C16H21ClN2O2 — CID 58437036

IUPAC5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
SMILESCCCCCCCC1(c2cccc(Cl)c2)NC(=O)NC1=O
InChIInChI=1S/C16H21ClN2O2/c1-2-3-4-5-6-10-16(14(20)18-15(21)19-16)12-8-7-9-13(17)11-12/h7-9,11H,2-6,10H2,1H3,(H2,18,19,20,21)
InChIKeyXEWGDJXIKFSAHY-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.74
Rot. Bonds7

About 5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione

5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione (PubChem CID 58437036) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
PubChem CID58437036
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
SMILESCCCCCCCC1(c2cccc(Cl)c2)NC(=O)NC1=O
InChIInChI=1S/C16H21ClN2O2/c1-2-3-4-5-6-10-16(14(20)18-15(21)19-16)12-8-7-9-13(17)11-12/h7-9,11H,2-6,10H2,1H3,(H2,18,19,20,21)
InChIKeyXEWGDJXIKFSAHY-UHFFFAOYSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
CID 70690995
4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 54049258
2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide
CID 46227827
3-(3-chlorophenyl)-3-ethylpiperazin-2-one
CID 62352117
5-(2,4-dichlorophenyl)-5-ethylimidazolidine-2,4-dione
CID 82098439
5-octyl-5-pentylimidazolidine-2,4-dione
CID 21324142
1-chloro-3-octylbenzene
CID 11458768
3-(3-chlorophenyl)-3-methylpiperazin-2-one
CID 62352450
5-hexyl-5-hydroxyimidazolidine-2,4-dione
CID 70494032
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
2-hexyl-2-phenyl-1H-indol-3-one
CID 132839339
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(4-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 137468170

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione?
The IUPAC name of 5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione (CID 58437036) is 5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione is CCCCCCCC1(c2cccc(Cl)c2)NC(=O)NC1=O.
What is the InChIKey of 5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione?
The InChIKey is XEWGDJXIKFSAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-2-3-4-5-6-10-16(14(20)18-15(21)19-16)12-8-7-9-13(17)11-12/h7-9,11H,2-6,10H2,1H3,(H2,18,19,20,21).
What are the key properties of 5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione?
5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione has a molecular weight of 308.81 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione is sourced from PubChem (CID 58437036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).