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

C12H14N2O2 — CID 83849281

IUPAC2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid
SMILESCc1ccc2nc(C(C)C(=O)O)n(C)c2c1
InChIInChI=1S/C12H14N2O2/c1-7-4-5-9-10(6-7)14(3)11(13-9)8(2)12(15)16/h4-6,8H,1-3H3,(H,15,16)
InChIKeyKERLBZAVIGMTEY-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.07
Rot. Bonds2

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

2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid (PubChem CID 83849281) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid
PubChem CID83849281
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid
SMILESCc1ccc2nc(C(C)C(=O)O)n(C)c2c1
InChIInChI=1S/C12H14N2O2/c1-7-4-5-9-10(6-7)14(3)11(13-9)8(2)12(15)16/h4-6,8H,1-3H3,(H,15,16)
InChIKeyKERLBZAVIGMTEY-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,6-dimethylbenzimidazol-2-yl)ethanone
CID 83857929
1-(1,6-dimethylbenzimidazol-2-yl)propan-2-one
CID 83857936
2-(1,6-dimethylbenzimidazol-2-yl)-2-methylpropanoic acid
CID 83857993
N-(1,6-dimethylbenzimidazol-2-yl)benzamide
CID 12035464
2-(2,6-dimethylbenzimidazol-1-yl)acetic acid
CID 84777822
2-(6-methylcinnolin-3-yl)propanoic acid
CID 83887030
2-(7-chloro-1-methylbenzimidazol-2-yl)propanoic acid
CID 83868053
3-chloro-1,7-dimethylquinoxalin-2-one
CID 13437029
2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
CID 159180645
2,4-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 16967777
1-hydroxy-2,6-dimethylbenzimidazole
CID 45077894
2-methyl-3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 103499832

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid?
The IUPAC name of 2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid (CID 83849281) is 2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid?
The canonical SMILES for 2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid is Cc1ccc2nc(C(C)C(=O)O)n(C)c2c1.
What is the InChIKey of 2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid?
The InChIKey is KERLBZAVIGMTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7-4-5-9-10(6-7)14(3)11(13-9)8(2)12(15)16/h4-6,8H,1-3H3,(H,15,16).
What are the key properties of 2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid?
2-(1,6-dimethylbenzimidazol-2-yl)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.07, 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)propanoic acid is sourced from PubChem (CID 83849281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).