2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide

C26H27ClN4O3 — CID 118962204

IUPAC2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)C(Cc1ccccc1)N1C(=O)NC(c2c[nH]c3cccc(Cl)c23)C1=O)C1CCC1
InChIInChI=1S/C26H27ClN4O3/c1-15(17-9-5-10-17)29-24(32)21(13-16-7-3-2-4-8-16)31-25(33)23(30-26(31)34)18-14-28-20-12-6-11-19(27)22(18)20/h2-4,6-8,11-12,14-15,17,21,23,28H,5,9-10,13H2,1H3,(H,29,32)(H,30,34)/t15-,21?,23?/m0/s1
InChIKeyFXZCHSXBQXAZJL-KIHDROPUSA-N
MW478.98 g/mol
LogP4.33
Rot. Bonds7

About 2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide

2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide (PubChem CID 118962204) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide
PubChem CID118962204
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Name2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)C(Cc1ccccc1)N1C(=O)NC(c2c[nH]c3cccc(Cl)c23)C1=O)C1CCC1
InChIInChI=1S/C26H27ClN4O3/c1-15(17-9-5-10-17)29-24(32)21(13-16-7-3-2-4-8-16)31-25(33)23(30-26(31)34)18-14-28-20-12-6-11-19(27)22(18)20/h2-4,6-8,11-12,14-15,17,21,23,28H,5,9-10,13H2,1H3,(H,29,32)(H,30,34)/t15-,21?,23?/m0/s1
InChIKeyFXZCHSXBQXAZJL-KIHDROPUSA-N
XLogP4.33
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
N-[(1S)-1-cyclobutylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-3-(3-methylphenyl)propanamide
CID 118957698
methyl 2-[[2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-3-phenylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 72997336
N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
CID 143528362
N-(2-chloro-4-methylphenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
CID 143528439
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2-amino-N-(1-cyclopropylethyl)-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956124
(2R)-N-[(S)-cyclopentyl(phenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1325904
N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
CID 68618814
N-[(1S)-1-cyclobutylethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-3-(1-methyltriazol-4-yl)propanamide
CID 118958707

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide?
The IUPAC name of 2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide (CID 118962204) is 2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide?
The canonical SMILES for 2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide is C[C@H](NC(=O)C(Cc1ccccc1)N1C(=O)NC(c2c[nH]c3cccc(Cl)c23)C1=O)C1CCC1.
What is the InChIKey of 2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide?
The InChIKey is FXZCHSXBQXAZJL-KIHDROPUSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-15(17-9-5-10-17)29-24(32)21(13-16-7-3-2-4-8-16)31-25(33)23(30-26(31)34)18-14-28-20-12-6-11-19(27)22(18)20/h2-4,6-8,11-12,14-15,17,21,23,28H,5,9-10,13H2,1H3,(H,29,32)(H,30,34)/t15-,21?,23?/m0/s1.
What are the key properties of 2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide?
2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide has a molecular weight of 478.98 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyclobutylethyl]-3-phenylpropanamide is sourced from PubChem (CID 118962204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).