3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid

C13H15BrN2O2 — CID 84645356

IUPAC3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
SMILESCn1c(CC(C)(C)C(=O)O)nc2cccc(Br)c21
InChIInChI=1S/C13H15BrN2O2/c1-13(2,12(17)18)7-10-15-9-6-4-5-8(14)11(9)16(10)3/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyNRJQLCNDIHWYSF-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.99
Rot. Bonds3

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

3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid (PubChem CID 84645356) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
PubChem CID84645356
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
SMILESCn1c(CC(C)(C)C(=O)O)nc2cccc(Br)c21
InChIInChI=1S/C13H15BrN2O2/c1-13(2,12(17)18)7-10-15-9-6-4-5-8(14)11(9)16(10)3/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyNRJQLCNDIHWYSF-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic 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-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84642739
3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid
CID 84646654
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
CID 79753577
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84640275
8-bromo-1,3-dimethylquinoxalin-2-one
CID 75486181
3-(7-bromo-2-methylbenzimidazol-1-yl)propanoic acid
CID 84812557
3-[1-[(2-bromophenyl)methyl]-5-[(5-propan-2-ylquinolin-2-yl)methoxy]benzimidazol-2-yl]-2,2-dimethylpropanoic acid
CID 123898181
2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid
CID 84638251
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 106279149
4-(4-bromoindazol-1-yl)-2,2-dimethylbutanoic acid
CID 123594262
3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid
CID 84646116
3-(5-bromo-1-methylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117195254

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid (CID 84645356) is 3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid is Cn1c(CC(C)(C)C(=O)O)nc2cccc(Br)c21.
What is the InChIKey of 3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid?
The InChIKey is NRJQLCNDIHWYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-13(2,12(17)18)7-10-15-9-6-4-5-8(14)11(9)16(10)3/h4-6H,7H2,1-3H3,(H,17,18).
What are the key properties of 3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid?
3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid has a molecular weight of 311.18 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 84645356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).