5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

C22H21Cl2N3O3 — CID 24572414

IUPAC5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC1CCc2ccccc2N1C(=O)CN1C(=O)NC(C)(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C22H21Cl2N3O3/c1-13-7-8-14-5-3-4-6-18(14)27(13)19(28)12-26-20(29)22(2,25-21(26)30)15-9-10-16(23)17(24)11-15/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,25,30)
InChIKeyWYTPVGSTDSZHQN-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.13
Rot. Bonds3

About 5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 24572414) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID24572414
Molecular FormulaC22H21Cl2N3O3
Molecular Weight446.33 g/mol
Exact Mass445.10
IUPAC Name5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCC1CCc2ccccc2N1C(=O)CN1C(=O)NC(C)(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C22H21Cl2N3O3/c1-13-7-8-14-5-3-4-6-18(14)27(13)19(28)12-26-20(29)22(2,25-21(26)30)15-9-10-16(23)17(24)11-15/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,25,30)
InChIKeyWYTPVGSTDSZHQN-UHFFFAOYSA-N
XLogP4.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 9453120
(5S)-5-(4-fluorophenyl)-5-methyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 27140977
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 41124309
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46638763
(5R)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 27029661
3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 17395940
5-(3,4-dichlorophenyl)-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 46638454
(5R)-5-(2,5-difluorophenyl)-5-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7561957
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 55468371
2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 94752282
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-(3,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46638452
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595801

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 24572414) is 5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is CC1CCc2ccccc2N1C(=O)CN1C(=O)NC(C)(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is WYTPVGSTDSZHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c1-13-7-8-14-5-3-4-6-18(14)27(13)19(28)12-26-20(29)22(2,25-21(26)30)15-9-10-16(23)17(24)11-15/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,25,30).
What are the key properties of 5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 446.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-5-methyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24572414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).