(5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione

C21H20ClN3O3 — CID 2708876

IUPAC(5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione
SMILESC[C@H](C(=O)N1CCc2ccccc21)N1C(=O)N[C@](C)(c2ccccc2Cl)C1=O
InChIInChI=1S/C21H20ClN3O3/c1-13(18(26)24-12-11-14-7-3-6-10-17(14)24)25-19(27)21(2,23-20(25)28)15-8-4-5-9-16(15)22/h3-10,13H,11-12H2,1-2H3,(H,23,28)/t13-,21-/m1/s1
InChIKeyCCUOVSVRYKUQGO-LRTDBIEQSA-N
MW397.86 g/mol
LogP3.08
Rot. Bonds3

About (5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione

(5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 2708876) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is (5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione
PubChem CID2708876
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name(5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione
SMILESC[C@H](C(=O)N1CCc2ccccc21)N1C(=O)N[C@](C)(c2ccccc2Cl)C1=O
InChIInChI=1S/C21H20ClN3O3/c1-13(18(26)24-12-11-14-7-3-6-10-17(14)24)25-19(27)21(2,23-20(25)28)15-8-4-5-9-16(15)22/h3-10,13H,11-12H2,1-2H3,(H,23,28)/t13-,21-/m1/s1
InChIKeyCCUOVSVRYKUQGO-LRTDBIEQSA-N
XLogP3.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.08
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-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2083343
3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4878980
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
(2S)-N-(3-chlorophenyl)-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 7916821
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
(5R)-5-methyl-3-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-5-phenylimidazolidine-2,4-dione
CID 7916777
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9357311
(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7425461
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 2078561
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595801
(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 2708811

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione (CID 2708876) is (5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione is C[C@H](C(=O)N1CCc2ccccc21)N1C(=O)N[C@](C)(c2ccccc2Cl)C1=O.
What is the InChIKey of (5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is CCUOVSVRYKUQGO-LRTDBIEQSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13(18(26)24-12-11-14-7-3-6-10-17(14)24)25-19(27)21(2,23-20(25)28)15-8-4-5-9-16(15)22/h3-10,13H,11-12H2,1-2H3,(H,23,28)/t13-,21-/m1/s1.
What are the key properties of (5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 397.86 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-chlorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 2708876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).