methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate

C12H10F2N2O3 — CID 167514724

IUPACmethyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate
SMILESCOC(=O)C1Cc2c(c(F)c3[nH]c(=O)[nH]c3c2F)C1
InChIInChI=1S/C12H10F2N2O3/c1-19-11(17)4-2-5-6(3-4)8(14)10-9(7(5)13)15-12(18)16-10/h4H,2-3H2,1H3,(H2,15,16,18)
InChIKeyUTLKRJZOQQZKGL-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.02
Rot. Bonds1

About methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate

methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate (PubChem CID 167514724) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate
PubChem CID167514724
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Namemethyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate
SMILESCOC(=O)C1Cc2c(c(F)c3[nH]c(=O)[nH]c3c2F)C1
InChIInChI=1S/C12H10F2N2O3/c1-19-11(17)4-2-5-6(3-4)8(14)10-9(7(5)13)15-12(18)16-10/h4H,2-3H2,1H3,(H2,15,16,18)
InChIKeyUTLKRJZOQQZKGL-UHFFFAOYSA-N
XLogP1.02
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate?
The IUPAC name of methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate (CID 167514724) is methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate.
What is the SMILES notation for methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate?
The canonical SMILES for methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate is COC(=O)C1Cc2c(c(F)c3[nH]c(=O)[nH]c3c2F)C1.
What is the InChIKey of methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate?
The InChIKey is UTLKRJZOQQZKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-19-11(17)4-2-5-6(3-4)8(14)10-9(7(5)13)15-12(18)16-10/h4H,2-3H2,1H3,(H2,15,16,18).
What are the key properties of methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate?
methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate has a molecular weight of 268.22 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,8-difluoro-2-oxo-3,5,6,7-tetrahydro-1H-cyclopenta[f]benzimidazole-6-carboxylate is sourced from PubChem (CID 167514724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).