methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate

C9H8N2O3 — CID 10352553

IUPACmethyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O3/c1-14-8(12)5-2-3-6-7(4-5)11-9(13)10-6/h2-4H,1H3,(H2,10,11,13)
InChIKeyKZBROPAHLBJQQC-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.64
Rot. Bonds1

About methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate

methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate (PubChem CID 10352553) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate
PubChem CID10352553
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Namemethyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H8N2O3/c1-14-8(12)5-2-3-6-7(4-5)11-9(13)10-6/h2-4H,1H3,(H2,10,11,13)
InChIKeyKZBROPAHLBJQQC-UHFFFAOYSA-N
XLogP0.64
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate?
The IUPAC name of methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate (CID 10352553) is methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate is COC(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate?
The InChIKey is KZBROPAHLBJQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-14-8(12)5-2-3-6-7(4-5)11-9(13)10-6/h2-4H,1H3,(H2,10,11,13).
What are the key properties of methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate?
methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate has a molecular weight of 192.17 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1,3-dihydrobenzimidazole-5-carboxylate is sourced from PubChem (CID 10352553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).