2-(benzimidazol-1-yl)-2-methylpropanoic acid

C11H12N2O2 — CID 82235137

IUPAC2-(benzimidazol-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cnc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-11(2,10(14)15)13-7-12-8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H,14,15)
InChIKeyQNOMLOPQHUFSRH-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.86
Rot. Bonds2

About 2-(benzimidazol-1-yl)-2-methylpropanoic acid

2-(benzimidazol-1-yl)-2-methylpropanoic acid (PubChem CID 82235137) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-2-methylpropanoic acid
PubChem CID82235137
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(benzimidazol-1-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cnc2ccccc21
InChIInChI=1S/C11H12N2O2/c1-11(2,10(14)15)13-7-12-8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H,14,15)
InChIKeyQNOMLOPQHUFSRH-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(benzimidazol-1-yl)-2,2-difluoro-1-phenylpropan-1-ol
CID 125154602
2,2-dimethylpropane;1-methylbenzimidazole
CID 167554382
2-(benzimidazol-1-yl)-6-fluorobenzoic acid
CID 79512434
3-(benzimidazol-1-yl)-2-methylbenzoic acid
CID 70364781
4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64703858
benzimidazol-1-ylcarbamic acid
CID 21218422
5-(benzimidazol-1-yl)-2,2,3,3,4,4-hexafluoro-5-oxopentanoic acid
CID 164747509
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700
bis(benzimidazol-1-yl) carbonate
CID 57193653
1-(2-ethylphenyl)benzimidazole
CID 22078308
N-(benzimidazol-1-yl)acetamide
CID 2318657
2-[3-(benzimidazol-1-yl)propanoylamino]-2-methylbutanoic acid
CID 79789545

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(benzimidazol-1-yl)-2-methylpropanoic acid (CID 82235137) is 2-(benzimidazol-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(benzimidazol-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(benzimidazol-1-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-2-methylpropanoic acid?
The InChIKey is QNOMLOPQHUFSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-11(2,10(14)15)13-7-12-8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2-(benzimidazol-1-yl)-2-methylpropanoic acid?
2-(benzimidazol-1-yl)-2-methylpropanoic acid has a molecular weight of 204.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 82235137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).