ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate

C23H20N4O3 — CID 11058459

IUPACethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate
SMILESCCOC(=O)n1cc(-n2c(-c3cn(C)c4ccccc34)c[nH]c2=O)c2ccccc21
InChIInChI=1S/C23H20N4O3/c1-3-30-23(29)26-14-21(16-9-5-7-11-19(16)26)27-20(12-24-22(27)28)17-13-25(2)18-10-6-4-8-15(17)18/h4-14H,3H2,1-2H3,(H,24,28)
InChIKeyYRSKFLVMHYECLB-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.28
Rot. Bonds3

About ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate

ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate (PubChem CID 11058459) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate
PubChem CID11058459
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Nameethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate
SMILESCCOC(=O)n1cc(-n2c(-c3cn(C)c4ccccc34)c[nH]c2=O)c2ccccc21
InChIInChI=1S/C23H20N4O3/c1-3-30-23(29)26-14-21(16-9-5-7-11-19(16)26)27-20(12-24-22(27)28)17-13-25(2)18-10-6-4-8-15(17)18/h4-14H,3H2,1-2H3,(H,24,28)
InChIKeyYRSKFLVMHYECLB-UHFFFAOYSA-N
XLogP4.28
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate with MolForge

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Related Compounds

3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide
CID 5163
1-(4-ethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616033
1-(4-Fluorophenyl)-3-[1-[2-(2-oxo-1-imidazolidinyl)ethyl]-4-piperidinyl]-1H-indole
CID 11742071
1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286284
ATM Inhibitor-3
CID 163286301
1-[2-(Dimethylamino)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286306
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylazetidin-3-yl)urea
CID 163286312
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 163286325
1-[2-(Azetidin-1-yl)ethyl]-3-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286352
US20230348462, Example 52
CID 163286355
1-[4-[1-(2-Methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-3-piperidin-4-ylurea
CID 163286373
(S)-N2-benzhydryl-N1-(1-methyl-1H-indol-3-yl)pyrrolidine-1,2-dicarboxamide
CID 122164804

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate?
The IUPAC name of ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate (CID 11058459) is ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate.
What is the SMILES notation for ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate?
The canonical SMILES for ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate is CCOC(=O)n1cc(-n2c(-c3cn(C)c4ccccc34)c[nH]c2=O)c2ccccc21.
What is the InChIKey of ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate?
The InChIKey is YRSKFLVMHYECLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-3-30-23(29)26-14-21(16-9-5-7-11-19(16)26)27-20(12-24-22(27)28)17-13-25(2)18-10-6-4-8-15(17)18/h4-14H,3H2,1-2H3,(H,24,28).
What are the key properties of ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate?
ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate has a molecular weight of 400.44 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-yl]indole-1-carboxylate is sourced from PubChem (CID 11058459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).