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

C23H27ClN2O2 — CID 70690995

IUPAC3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
SMILESCCCCCCCC1(c2cccc(Cl)c2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C23H27ClN2O2/c1-2-3-4-5-9-15-23(19-13-10-14-20(24)16-19)21(27)26(22(28)25-23)17-18-11-7-6-8-12-18/h6-8,10-14,16H,2-5,9,15,17H2,1H3,(H,25,28)
InChIKeyBSSSSHXWODSLFD-UHFFFAOYSA-N
MW398.93 g/mol
LogP5.65
Rot. Bonds9

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

3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione (PubChem CID 70690995) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
PubChem CID70690995
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
SMILESCCCCCCCC1(c2cccc(Cl)c2)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C23H27ClN2O2/c1-2-3-4-5-9-15-23(19-13-10-14-20(24)16-19)21(27)26(22(28)25-23)17-18-11-7-6-8-12-18/h6-8,10-14,16H,2-5,9,15,17H2,1H3,(H,25,28)
InChIKeyBSSSSHXWODSLFD-UHFFFAOYSA-N
XLogP5.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.93
LogP ≤ 55.65
H-Bond Donors ≤ 51
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-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
CID 58437036
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927
N-(3-chlorophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585526
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
N-[(3-chlorophenyl)methyl]-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242669
(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 25465314
2-[(4S)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 2481522
5-butyl-3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 55327606
3-[[4-(aminomethyl)phenyl]methyl]-5-butyl-2-methylimino-5-phenylimidazolidin-4-one
CID 145460479
(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7621342

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione (CID 70690995) is 3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione is CCCCCCCC1(c2cccc(Cl)c2)NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione?
The InChIKey is BSSSSHXWODSLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-2-3-4-5-9-15-23(19-13-10-14-20(24)16-19)21(27)26(22(28)25-23)17-18-11-7-6-8-12-18/h6-8,10-14,16H,2-5,9,15,17H2,1H3,(H,25,28).
What are the key properties of 3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione?
3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione has a molecular weight of 398.93 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione is sourced from PubChem (CID 70690995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).