(5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C21H22ClN3O3 — CID 7240441

IUPAC(5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1C1CC1
InChIInChI=1S/C21H22ClN3O3/c1-12-10-17(13(2)25(12)16-8-9-16)18(26)11-24-19(27)21(3,23-20(24)28)14-4-6-15(22)7-5-14/h4-7,10,16H,8-9,11H2,1-3H3,(H,23,28)/t21-/m1/s1
InChIKeyAYNGQDOLIDLHJZ-OAQYLSRUSA-N
MW399.88 g/mol
LogP3.74
Rot. Bonds5

About (5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 7240441) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is (5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID7240441
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name(5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1C1CC1
InChIInChI=1S/C21H22ClN3O3/c1-12-10-17(13(2)25(12)16-8-9-16)18(26)11-24-19(27)21(3,23-20(24)28)14-4-6-15(22)7-5-14/h4-7,10,16H,8-9,11H2,1-3H3,(H,23,28)/t21-/m1/s1
InChIKeyAYNGQDOLIDLHJZ-OAQYLSRUSA-N
XLogP3.74
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7180107
(5R)-5-(4-chlorophenyl)-3-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 41100981
3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 2622817
(5S)-5-butyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7622401
5-(4-chlorophenyl)-3-[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 3888158
(5S)-3-[2-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 41271458
5-(4-chlorophenyl)-3-[2-(2,5-diethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42982560
(4S)-3'-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 2527015
3-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 24520307
5-(4-chlorophenyl)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42897860
5-(4-chlorophenyl)-5-methyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 17445039
5,6-dichloro-2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione
CID 7880241

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 7240441) is (5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c(C)n1C1CC1.
What is the InChIKey of (5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is AYNGQDOLIDLHJZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-12-10-17(13(2)25(12)16-8-9-16)18(26)11-24-19(27)21(3,23-20(24)28)14-4-6-15(22)7-5-14/h4-7,10,16H,8-9,11H2,1-3H3,(H,23,28)/t21-/m1/s1.
What are the key properties of (5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 399.88 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-chlorophenyl)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7240441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).