3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid

C11H11BrN2O2 — CID 84812557

IUPAC3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid
SMILESCc1nc2cccc(Br)c2n1CCC(=O)O
InChIInChI=1S/C11H11BrN2O2/c1-7-13-9-4-2-3-8(12)11(9)14(7)6-5-10(15)16/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyVTHAHGFMLWUWKR-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.58
Rot. Bonds3

About 3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid

3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid (PubChem CID 84812557) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid
PubChem CID84812557
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid
SMILESCc1nc2cccc(Br)c2n1CCC(=O)O
InChIInChI=1S/C11H11BrN2O2/c1-7-13-9-4-2-3-8(12)11(9)14(7)6-5-10(15)16/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyVTHAHGFMLWUWKR-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(7-bromo-2,3-dimethylindol-1-yl)propanoic acid
CID 82502352
3-(7-bromobenzotriazol-1-yl)propanoic acid
CID 83681324
3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid
CID 6494984
2-methyl-3-(2-methylsulfanylethyl)benzimidazole-4-carboxylic acid
CID 112577314
2-(7-bromo-2-cyclopropylbenzimidazol-1-yl)acetic acid
CID 84815406
3-(2-amino-7-chlorobenzimidazol-1-yl)propanoic acid
CID 84736897
3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid
CID 84739104
3-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577362
2-methyl-3-(4-methylpentyl)benzimidazole-4-carboxylic acid
CID 112577289
7-bromo-2-methyl-1-propylbenzimidazole-5-carboxylic acid
CID 75487828
3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84645356
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid (CID 84812557) is 3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid is Cc1nc2cccc(Br)c2n1CCC(=O)O.
What is the InChIKey of 3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid?
The InChIKey is VTHAHGFMLWUWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7-13-9-4-2-3-8(12)11(9)14(7)6-5-10(15)16/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid?
3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid has a molecular weight of 283.12 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 84812557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).