ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate

C17H16N2O3 — CID 44720421

IUPACethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2)n2ccn(C)c12
InChIInChI=1S/C17H16N2O3/c1-3-22-17(21)13-11-14(19-10-9-18(2)16(13)19)15(20)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyILBAGPHAVFIRID-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.69
Rot. Bonds4

About ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate

ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate (PubChem CID 44720421) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate
PubChem CID44720421
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Nameethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2)n2ccn(C)c12
InChIInChI=1S/C17H16N2O3/c1-3-22-17(21)13-11-14(19-10-9-18(2)16(13)19)15(20)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyILBAGPHAVFIRID-UHFFFAOYSA-N
XLogP2.69
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-benzoyl-3-(4-methylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 3424246
ethyl 7-benzoyl-3-(4-hydroxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 3461787
ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
CID 4052671
ethyl 7-benzoyl-3-thiophen-2-ylpyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 12018432
ethyl 7-benzoyl-3-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4280668
ethyl 3-benzoyl-2-methylindolizine-8-carboxylate
CID 15562899
ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
ethyl 7-(4-chlorobenzoyl)-3-(4-phenylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 5162517
ethyl 3-(4-bromobenzoyl)-7-[3-(4-bromobenzoyl)-1-ethoxycarbonylindolizin-7-yl]indolizine-1-carboxylate
CID 101053717
ethyl 2-benzoylcyclopropene-1-carboxylate
CID 102131953
ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate
CID 171462969
CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate?
The IUPAC name of ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate (CID 44720421) is ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate.
What is the SMILES notation for ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate?
The canonical SMILES for ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate is CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccn(C)c12.
What is the InChIKey of ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate?
The InChIKey is ILBAGPHAVFIRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-3-22-17(21)13-11-14(19-10-9-18(2)16(13)19)15(20)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate?
ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate is sourced from PubChem (CID 44720421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).