2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid

C13H16N2O2 — CID 83857993

IUPAC2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid
SMILESCc1ccc2nc(C(C)(C)C(=O)O)n(C)c2c1
InChIInChI=1S/C13H16N2O2/c1-8-5-6-9-10(7-8)15(4)11(14-9)13(2,3)12(16)17/h5-7H,1-4H3,(H,16,17)
InChIKeyASXDXNVDIOQSTP-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.24
Rot. Bonds2

About 2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid

2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid (PubChem CID 83857993) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid
PubChem CID83857993
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid
SMILESCc1ccc2nc(C(C)(C)C(=O)O)n(C)c2c1
InChIInChI=1S/C13H16N2O2/c1-8-5-6-9-10(7-8)15(4)11(14-9)13(2,3)12(16)17/h5-7H,1-4H3,(H,16,17)
InChIKeyASXDXNVDIOQSTP-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,6-dimethylbenzimidazol-2-yl)ethanone
CID 83857929
2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid
CID 83849281
1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
CID 83857936
N-(1,6-dimethylbenzimidazol-2-yl)benzamide
CID 12035464
2-methyl-2-(6-methyl-1H-benzimidazol-2-yl)propanoic acid
CID 83857711
3-chloro-1,7-dimethylquinoxalin-2-one
CID 13437029
2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
CID 159180645
1-hydroxy-2,6-dimethylbenzimidazole
CID 45077894
tert-butyl 2,6-dimethylbenzimidazole-1-carboxylate
CID 143547748
3-(1,5-dimethylbenzimidazol-2-yl)-2,3-dimethylbutan-2-amine
CID 65261513
2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
CID 84777822
4-(1,6-dimethylbenzimidazol-2-yl)aniline
CID 84628854

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid (CID 83857993) is 2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid is Cc1ccc2nc(C(C)(C)C(=O)O)n(C)c2c1.
What is the InChIKey of 2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid?
The InChIKey is ASXDXNVDIOQSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-5-6-9-10(7-8)15(4)11(14-9)13(2,3)12(16)17/h5-7H,1-4H3,(H,16,17).
What are the key properties of 2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid?
2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83857993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).