3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid

C13H14N2O3 — CID 113467250

IUPAC3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
SMILESCC1CC(n2c(=O)[nH]c3cccc(C(=O)O)c32)C1
InChIInChI=1S/C13H14N2O3/c1-7-5-8(6-7)15-11-9(12(16)17)3-2-4-10(11)14-13(15)18/h2-4,7-8H,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyPZNLXEHSGGCIOF-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.00
Rot. Bonds2

About 3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid

3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid (PubChem CID 113467250) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
PubChem CID113467250
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
SMILESCC1CC(n2c(=O)[nH]c3cccc(C(=O)O)c32)C1
InChIInChI=1S/C13H14N2O3/c1-7-5-8(6-7)15-11-9(12(16)17)3-2-4-10(11)14-13(15)18/h2-4,7-8H,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyPZNLXEHSGGCIOF-UHFFFAOYSA-N
XLogP2.00
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid (CID 113467250) is 3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid is CC1CC(n2c(=O)[nH]c3cccc(C(=O)O)c32)C1.
What is the InChIKey of 3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
The InChIKey is PZNLXEHSGGCIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7-5-8(6-7)15-11-9(12(16)17)3-2-4-10(11)14-13(15)18/h2-4,7-8H,5-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid?
3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclobutyl)-2-oxo-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 113467250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).