ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate

C19H20N4O5 — CID 168557913

IUPACethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2NC2=CC(=O)N(CCO)C2=O)[nH]c1C
InChIInChI=1S/C19H20N4O5/c1-3-28-19(27)16-11(2)20-17(22-16)12-6-4-5-7-13(12)21-14-10-15(25)23(8-9-24)18(14)26/h4-7,10,21,24H,3,8-9H2,1-2H3,(H,20,22)
InChIKeyBNMQETMCAGFVIM-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.22
Rot. Bonds7

About ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate

ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate (PubChem CID 168557913) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate
PubChem CID168557913
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Nameethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2NC2=CC(=O)N(CCO)C2=O)[nH]c1C
InChIInChI=1S/C19H20N4O5/c1-3-28-19(27)16-11(2)20-17(22-16)12-6-4-5-7-13(12)21-14-10-15(25)23(8-9-24)18(14)26/h4-7,10,21,24H,3,8-9H2,1-2H3,(H,20,22)
InChIKeyBNMQETMCAGFVIM-UHFFFAOYSA-N
XLogP1.22
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate with MolForge

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Related Compounds

ethyl 3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylbenzoate
CID 168559856
diethyl 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzene-1,3-dicarboxylate
CID 168557736
3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558491
ethyl 5-methyl-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-1H-imidazole-4-carboxylate
CID 169372608
ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
CID 53404405
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylisoindole-1,3-dione
CID 168559358
N-(4-ethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide
CID 168559539
1-(2-hydroxyethyl)-3-[(4-methylnaphthalen-1-yl)amino]pyrrole-2,5-dione
CID 168557289
1-(2-hydroxyethyl)-3-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino]pyrrole-2,5-dione
CID 168559726
1-(2-hydroxyethyl)-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)anilino]pyrrole-2,5-dione
CID 168560250
ethyl 1-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methylpyrazole-4-carboxylate
CID 168559674

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate (CID 168557913) is ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2NC2=CC(=O)N(CCO)C2=O)[nH]c1C.
What is the InChIKey of ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate?
The InChIKey is BNMQETMCAGFVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-3-28-19(27)16-11(2)20-17(22-16)12-6-4-5-7-13(12)21-14-10-15(25)23(8-9-24)18(14)26/h4-7,10,21,24H,3,8-9H2,1-2H3,(H,20,22).
What are the key properties of ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate?
ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate has a molecular weight of 384.39 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5-methyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 168557913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).