ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate

C15H15N3O2 — CID 56850408

IUPACethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3cncn3C)ccc2[nH]1
InChIInChI=1S/C15H15N3O2/c1-3-20-15(19)13-7-11-6-10(4-5-12(11)17-13)14-8-16-9-18(14)2/h4-9,17H,3H2,1-2H3
InChIKeyFOLNSFQIWULSJC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.75
Rot. Bonds3

About ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate

ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate (PubChem CID 56850408) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate
PubChem CID56850408
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Nameethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3cncn3C)ccc2[nH]1
InChIInChI=1S/C15H15N3O2/c1-3-20-15(19)13-7-11-6-10(4-5-12(11)17-13)14-8-16-9-18(14)2/h4-9,17H,3H2,1-2H3
InChIKeyFOLNSFQIWULSJC-UHFFFAOYSA-N
XLogP2.75
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate (CID 56850408) is ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(-c3cncn3C)ccc2[nH]1.
What is the InChIKey of ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate?
The InChIKey is FOLNSFQIWULSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-20-15(19)13-7-11-6-10(4-5-12(11)17-13)14-8-16-9-18(14)2/h4-9,17H,3H2,1-2H3.
What are the key properties of ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate?
ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-methylimidazol-4-yl)-1H-indole-2-carboxylate is sourced from PubChem (CID 56850408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).