ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate

C15H17N3O3 — CID 10356712

IUPACethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate
SMILESCCOC(=O)c1cn(C2=NCCN2)c2ccc(OC)cc12
InChIInChI=1S/C15H17N3O3/c1-3-21-14(19)12-9-18(15-16-6-7-17-15)13-5-4-10(20-2)8-11(12)13/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyRFFPKYICJZIBSL-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.63
Rot. Bonds3

About ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate

ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate (PubChem CID 10356712) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate
PubChem CID10356712
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate
SMILESCCOC(=O)c1cn(C2=NCCN2)c2ccc(OC)cc12
InChIInChI=1S/C15H17N3O3/c1-3-21-14(19)12-9-18(15-16-6-7-17-15)13-5-4-10(20-2)8-11(12)13/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17)
InChIKeyRFFPKYICJZIBSL-UHFFFAOYSA-N
XLogP1.63
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate?
The IUPAC name of ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate (CID 10356712) is ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate?
The canonical SMILES for ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate is CCOC(=O)c1cn(C2=NCCN2)c2ccc(OC)cc12.
What is the InChIKey of ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate?
The InChIKey is RFFPKYICJZIBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-21-14(19)12-9-18(15-16-6-7-17-15)13-5-4-10(20-2)8-11(12)13/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,17).
What are the key properties of ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate?
ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxyindole-3-carboxylate is sourced from PubChem (CID 10356712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).