ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate

C17H19N3O4 — CID 56690006

IUPACethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate
SMILESCCOC(=O)c1cn(C2=NCCN2C(C)=O)c2ccc(OC)cc12
InChIInChI=1S/C17H19N3O4/c1-4-24-16(22)14-10-20(17-18-7-8-19(17)11(2)21)15-6-5-12(23-3)9-13(14)15/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyRWAUXCPSKIUJDQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.89
Rot. Bonds3

About ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate

ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate (PubChem CID 56690006) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate
PubChem CID56690006
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Nameethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate
SMILESCCOC(=O)c1cn(C2=NCCN2C(C)=O)c2ccc(OC)cc12
InChIInChI=1S/C17H19N3O4/c1-4-24-16(22)14-10-20(17-18-7-8-19(17)11(2)21)15-6-5-12(23-3)9-13(14)15/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyRWAUXCPSKIUJDQ-UHFFFAOYSA-N
XLogP1.89
TPSA73.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate?
The IUPAC name of ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate (CID 56690006) is ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate?
The canonical SMILES for ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate is CCOC(=O)c1cn(C2=NCCN2C(C)=O)c2ccc(OC)cc12.
What is the InChIKey of ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate?
The InChIKey is RWAUXCPSKIUJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-4-24-16(22)14-10-20(17-18-7-8-19(17)11(2)21)15-6-5-12(23-3)9-13(14)15/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate?
ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-acetyl-4,5-dihydroimidazol-2-yl)-5-methoxyindole-3-carboxylate is sourced from PubChem (CID 56690006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).