3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione

C20H21ClN2O2 — CID 145417028

IUPAC3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCCC1(CC)C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C20H21ClN2O2/c1-4-20(5-2)18(24)22(16-12-8-15(21)9-13-16)19(25)23(20)17-10-6-14(3)7-11-17/h6-13H,4-5H2,1-3H3
InChIKeyHTWUKXYESJFJDO-UHFFFAOYSA-N
MW356.85 g/mol
LogP5.18
Rot. Bonds4

About 3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione

3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 145417028) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID145417028
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCCC1(CC)C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C20H21ClN2O2/c1-4-20(5-2)18(24)22(16-12-8-15(21)9-13-16)19(25)23(20)17-10-6-14(3)7-11-17/h6-13H,4-5H2,1-3H3
InChIKeyHTWUKXYESJFJDO-UHFFFAOYSA-N
XLogP5.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.85
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 60837458
5-bromo-5-[2-(4-chlorophenyl)-2-oxoethyl]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23238173
3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 14639021
(4-chlorophenyl)methyl-methyl-[[3-(4-methylphenyl)-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
CID 9279246
3-(4-chlorophenyl)-6-(4-methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
CID 4516570
7-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
CID 161228217
1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione
CID 9380129
1-chloro-4-methylbenzene;zinc
CID 174694335
3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61295440
1-chloro-4-methylbenzene;pentane
CID 142041532
2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide
CID 68638695
3-[3-(4-chlorophenyl)-5-ethyl-4-hydroxy-5-methyl-1-(4-methylphenyl)-2-oxoimidazolidin-4-yl]cyclohexa-1,3-diene-1-carbonitrile
CID 145417220

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 145417028) is 3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione is CCC1(CC)C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is HTWUKXYESJFJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-4-20(5-2)18(24)22(16-12-8-15(21)9-13-16)19(25)23(20)17-10-6-14(3)7-11-17/h6-13H,4-5H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 356.85 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 145417028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).