methyl 2-oxobenzimidazole-5-carboxylate

C9H6N2O3 — CID 68557267

IUPACmethyl 2-oxobenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C9H6N2O3/c1-14-8(12)5-2-3-6-7(4-5)11-9(13)10-6/h2-4H,1H3
InChIKeyINXRPDOXGKVDLA-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.15
Rot. Bonds1

About methyl 2-oxobenzimidazole-5-carboxylate

methyl 2-oxobenzimidazole-5-carboxylate (PubChem CID 68557267) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is methyl 2-oxobenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxobenzimidazole-5-carboxylate
PubChem CID68557267
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Namemethyl 2-oxobenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C9H6N2O3/c1-14-8(12)5-2-3-6-7(4-5)11-9(13)10-6/h2-4H,1H3
InChIKeyINXRPDOXGKVDLA-UHFFFAOYSA-N
XLogP-0.15
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxobenzimidazole-5-carboxylate?
The IUPAC name of methyl 2-oxobenzimidazole-5-carboxylate (CID 68557267) is methyl 2-oxobenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-oxobenzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-oxobenzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)=NC(=O)N=2.
What is the InChIKey of methyl 2-oxobenzimidazole-5-carboxylate?
The InChIKey is INXRPDOXGKVDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c1-14-8(12)5-2-3-6-7(4-5)11-9(13)10-6/h2-4H,1H3.
What are the key properties of methyl 2-oxobenzimidazole-5-carboxylate?
methyl 2-oxobenzimidazole-5-carboxylate has a molecular weight of 190.16 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxobenzimidazole-5-carboxylate is sourced from PubChem (CID 68557267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).