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

C11H12N2O2 — CID 84777822

IUPAC2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
SMILESCc1ccc2nc(C)n(CC(=O)O)c2c1
InChIInChI=1S/C11H12N2O2/c1-7-3-4-9-10(5-7)13(6-11(14)15)8(2)12-9/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyKQSZJEMDCUYRRR-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.74
Rot. Bonds2

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

2-(2,6-dimethylbenzimidazol-1-yl)acetic acid (PubChem CID 84777822) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(2,6-dimethylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
PubChem CID84777822
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
SMILESCc1ccc2nc(C)n(CC(=O)O)c2c1
InChIInChI=1S/C11H12N2O2/c1-7-3-4-9-10(5-7)13(6-11(14)15)8(2)12-9/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyKQSZJEMDCUYRRR-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-bromo-2-methylbenzimidazol-1-yl)acetic acid
CID 84808508
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid
CID 6494984
1-hydroxy-2,6-dimethylbenzimidazole
CID 45077894
2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 82145200
2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
CID 84786090
2-(2-methyl-5-pyrrolidin-1-ylbenzimidazol-1-yl)acetic acid
CID 83972340
2-(6-hydroxy-2-propan-2-ylbenzimidazol-1-yl)acetic acid
CID 84796849
2-methyl-3-pentylbenzimidazole-5-carboxylic acid
CID 82791290
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
2-[1-(2-methoxy-2-methylpropyl)-6-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 104763095
2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 106861835

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2,6-dimethylbenzimidazol-1-yl)acetic acid (CID 84777822) is 2-(2,6-dimethylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2,6-dimethylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2,6-dimethylbenzimidazol-1-yl)acetic acid is Cc1ccc2nc(C)n(CC(=O)O)c2c1.
What is the InChIKey of 2-(2,6-dimethylbenzimidazol-1-yl)acetic acid?
The InChIKey is KQSZJEMDCUYRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-3-4-9-10(5-7)13(6-11(14)15)8(2)12-9/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,6-dimethylbenzimidazol-1-yl)acetic acid?
2-(2,6-dimethylbenzimidazol-1-yl)acetic acid has a molecular weight of 204.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84777822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).