methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate

C12H9FN2O2 — CID 154708792

IUPACmethyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate
SMILESCOC(=O)c1cn2c(n1)-c1cc(F)ccc1C2
InChIInChI=1S/C12H9FN2O2/c1-17-12(16)10-6-15-5-7-2-3-8(13)4-9(7)11(15)14-10/h2-4,6H,5H2,1H3
InChIKeyQSOULLLUBHCLGK-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.84
Rot. Bonds1

About methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate

methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate (PubChem CID 154708792) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate
PubChem CID154708792
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Namemethyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate
SMILESCOC(=O)c1cn2c(n1)-c1cc(F)ccc1C2
InChIInChI=1S/C12H9FN2O2/c1-17-12(16)10-6-15-5-7-2-3-8(13)4-9(7)11(15)14-10/h2-4,6H,5H2,1H3
InChIKeyQSOULLLUBHCLGK-UHFFFAOYSA-N
XLogP1.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Etomidate
CID 667484
Ethnor
CID 36339
1H-Imidazole-5-carboxylic acid, 1-((1S)-1-phenylethyl)-, ethyl ester
CID 6338045
Methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride
CID 118264
Metomidate
CID 21474
Methyl 1-(phenylmethyl)-1H-imidazole-5-carboxylate
CID 96879
Propyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
CID 65591
Iodometomidate i-123, R-
CID 11660398
1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, 1-methylethyl ester
CID 12408743
Methyl 3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 718831
Metomidate, (R)-
CID 1129903
1-(4-Cyanobenzyl)-5-(methyl carboxylate)-1H-imidazole
CID 11032034

Frequently Asked Questions

What is the IUPAC name of methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate?
The IUPAC name of methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate (CID 154708792) is methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate.
What is the SMILES notation for methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate?
The canonical SMILES for methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate is COC(=O)c1cn2c(n1)-c1cc(F)ccc1C2.
What is the InChIKey of methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate?
The InChIKey is QSOULLLUBHCLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-17-12(16)10-6-15-5-7-2-3-8(13)4-9(7)11(15)14-10/h2-4,6H,5H2,1H3.
What are the key properties of methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate?
methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate has a molecular weight of 232.21 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-fluoro-5H-imidazo[2,1-a]isoindole-2-carboxylate is sourced from PubChem (CID 154708792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).