2-(2-methylbenzimidazol-1-yl)propanoic acid

C11H12N2O2 — CID 5236849

IUPAC2-(2-methylbenzimidazol-1-yl)propanoic acid
SMILESCc1nc2ccccc2n1C(C)C(=O)O
InChIInChI=1S/C11H12N2O2/c1-7(11(14)15)13-8(2)12-9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,15)
InChIKeyMZCOUPNAPANBEY-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.99
Rot. Bonds2

About 2-(2-methylbenzimidazol-1-yl)propanoic acid

2-(2-methylbenzimidazol-1-yl)propanoic acid (PubChem CID 5236849) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)propanoic acid
PubChem CID5236849
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(2-methylbenzimidazol-1-yl)propanoic acid
SMILESCc1nc2ccccc2n1C(C)C(=O)O
InChIInChI=1S/C11H12N2O2/c1-7(11(14)15)13-8(2)12-9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,15)
InChIKeyMZCOUPNAPANBEY-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 82144571
2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82144822
2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
CID 82024672
2-[2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid
CID 82144659
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 78913706
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)propanoic acid
CID 82146050
3-(2-methylbenzimidazol-1-yl)butan-2-amine
CID 61351774
N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 134102969
2-[2-[(4-aminophenyl)methyl]benzimidazol-1-yl]propanoic acid
CID 82024733

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)propanoic acid (CID 5236849) is 2-(2-methylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)propanoic acid is Cc1nc2ccccc2n1C(C)C(=O)O.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)propanoic acid?
The InChIKey is MZCOUPNAPANBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(11(14)15)13-8(2)12-9-5-3-4-6-10(9)13/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2-(2-methylbenzimidazol-1-yl)propanoic acid?
2-(2-methylbenzimidazol-1-yl)propanoic acid has a molecular weight of 204.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 5236849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).