ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate

C23H19Cl2N3O5 — CID 10929042

IUPACethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(c2ccc(C(C)=O)cc2)C1=O
InChIInChI=1S/C23H19Cl2N3O5/c1-3-33-22(31)21-16(20-17(25)8-14(24)9-18(20)26-21)10-27-11-19(30)28(23(27)32)15-6-4-13(5-7-15)12(2)29/h4-9,26H,3,10-11H2,1-2H3
InChIKeyXZKPDNMYZWSBPZ-UHFFFAOYSA-N
MW488.33 g/mol
LogP4.82
Rot. Bonds6

About ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate

ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate (PubChem CID 10929042) has the molecular formula C23H19Cl2N3O5 and a molecular weight of 488.33 g/mol. Its IUPAC name is ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate
PubChem CID10929042
Molecular FormulaC23H19Cl2N3O5
Molecular Weight488.33 g/mol
Exact Mass487.07
IUPAC Nameethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(c2ccc(C(C)=O)cc2)C1=O
InChIInChI=1S/C23H19Cl2N3O5/c1-3-33-22(31)21-16(20-17(25)8-14(24)9-18(20)26-21)10-27-11-19(30)28(23(27)32)15-6-4-13(5-7-15)12(2)29/h4-9,26H,3,10-11H2,1-2H3
InChIKeyXZKPDNMYZWSBPZ-UHFFFAOYSA-N
XLogP4.82
TPSA99.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.33
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate with MolForge

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Related Compounds

ethyl 4,6-dichloro-3-[[2,4-dioxo-3-(4-phenylmethoxyphenyl)imidazolidin-1-yl]methyl]-1H-indole-2-carboxylate
CID 54754059
4,6-dichloro-3-[(2,4-dioxo-3-propan-2-ylimidazolidin-1-yl)methyl]-1H-indole-2-carboxylic acid
CID 11811080
ethyl 3-[(benzylamino)methyl]-4,6-dichloro-1H-indole-2-carboxylate
CID 10926924
ethyl 3-[2-[2-(aminomethyl)phenyl]ethyl]-4,6-dichloro-1H-indole-2-carboxylate
CID 174286195
ethyl 4,6-dichloro-3-(1,3-dioxolan-2-yl)-1H-indole-2-carboxylate
CID 170874265
(E)-2-(4-chlorophenyl)-3-(4,6-dichloro-2-ethoxycarbonyl-1H-indol-3-yl)prop-2-enoic acid
CID 22407036
3-(4,6-dichloro-2-ethoxycarbonyl-1H-indol-3-yl)prop-2-enoic acid
CID 53401090
ethyl 7-chloro-1,3,4,5-tetrahydrobenzo[cd]indole-2-carboxylate
CID 18984729
ethyl 4,6-dichloro-3-[1-(2-methoxyphenyl)ethyl]-1H-indole-2-carboxylate
CID 174282944
4,6-dichloro-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1H-indole-2-carboxylic acid;dihydrochloride
CID 69424686
ethyl 3-[1-[2-(aminomethyl)phenyl]ethyl]-4,6-dichloro-1H-indole-2-carboxylate
CID 174281477
ethyl 9-benzyl-3,4-dimethyl-5-oxo-1,6,7,8-tetrahydropyrrolo[2,3-b]carbazole-2-carboxylate
CID 10693124

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate (CID 10929042) is ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1CN1CC(=O)N(c2ccc(C(C)=O)cc2)C1=O.
What is the InChIKey of ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate?
The InChIKey is XZKPDNMYZWSBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O5/c1-3-33-22(31)21-16(20-17(25)8-14(24)9-18(20)26-21)10-27-11-19(30)28(23(27)32)15-6-4-13(5-7-15)12(2)29/h4-9,26H,3,10-11H2,1-2H3.
What are the key properties of ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate?
ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate has a molecular weight of 488.33 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(4-acetylphenyl)-2,4-dioxoimidazolidin-1-yl]methyl]-4,6-dichloro-1H-indole-2-carboxylate is sourced from PubChem (CID 10929042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).