methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate

C14H12N2O3 — CID 780422

IUPACmethyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate
SMILESCOC(=O)c1c(C)cc(=O)n2c1[nH]c1ccccc12
InChIInChI=1S/C14H12N2O3/c1-8-7-11(17)16-10-6-4-3-5-9(10)15-13(16)12(8)14(18)19-2/h3-7,15H,1-2H3
InChIKeyWQZLXXQTPIPUET-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.88
Rot. Bonds1

About methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate

methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate (PubChem CID 780422) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate
PubChem CID780422
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Namemethyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate
SMILESCOC(=O)c1c(C)cc(=O)n2c1[nH]c1ccccc12
InChIInChI=1S/C14H12N2O3/c1-8-7-11(17)16-10-6-4-3-5-9(10)15-13(16)12(8)14(18)19-2/h3-7,15H,1-2H3
InChIKeyWQZLXXQTPIPUET-UHFFFAOYSA-N
XLogP1.88
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate?
The IUPAC name of methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate (CID 780422) is methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate?
The canonical SMILES for methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate is COC(=O)c1c(C)cc(=O)n2c1[nH]c1ccccc12.
What is the InChIKey of methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate?
The InChIKey is WQZLXXQTPIPUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-8-7-11(17)16-10-6-4-3-5-9(10)15-13(16)12(8)14(18)19-2/h3-7,15H,1-2H3.
What are the key properties of methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate?
methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate is sourced from PubChem (CID 780422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).