5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

C28H25N3O3 — CID 154775292

IUPAC5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc(C2(c3ccccc3)NC(=O)N(CC(=O)c3c(C)[nH]c4ccccc34)C2=O)cc1C
InChIInChI=1S/C28H25N3O3/c1-17-13-14-21(15-18(17)2)28(20-9-5-4-6-10-20)26(33)31(27(34)30-28)16-24(32)25-19(3)29-23-12-8-7-11-22(23)25/h4-15,29H,16H2,1-3H3,(H,30,34)
InChIKeyPOMBDSYZWUPTJV-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.77
Rot. Bonds5

About 5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 154775292) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID154775292
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC Name5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc(C2(c3ccccc3)NC(=O)N(CC(=O)c3c(C)[nH]c4ccccc34)C2=O)cc1C
InChIInChI=1S/C28H25N3O3/c1-17-13-14-21(15-18(17)2)28(20-9-5-4-6-10-20)26(33)31(27(34)30-28)16-24(32)25-19(3)29-23-12-8-7-11-22(23)25/h4-15,29H,16H2,1-3H3,(H,30,34)
InChIKeyPOMBDSYZWUPTJV-UHFFFAOYSA-N
XLogP4.77
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41061049
(5R)-5-(3,4-dimethylphenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8677282
5-(3-bromophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 4804402
(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 40745114
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
(5R)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595995
(5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 41251117
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8673076
butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8673066
(5R)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7242817
5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60597012
ethyl 5-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2423832

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (CID 154775292) is 5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is Cc1ccc(C2(c3ccccc3)NC(=O)N(CC(=O)c3c(C)[nH]c4ccccc34)C2=O)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is POMBDSYZWUPTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c1-17-13-14-21(15-18(17)2)28(20-9-5-4-6-10-20)26(33)31(27(34)30-28)16-24(32)25-19(3)29-23-12-8-7-11-22(23)25/h4-15,29H,16H2,1-3H3,(H,30,34).
What are the key properties of 5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 451.53 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 154775292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).