2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid

C10H9BrN2O2 — CID 83903030

IUPAC2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid
SMILESCc1nc2cc(Br)c(CC(=O)O)cc2[nH]1
InChIInChI=1S/C10H9BrN2O2/c1-5-12-8-2-6(3-10(14)15)7(11)4-9(8)13-5/h2,4H,3H2,1H3,(H,12,13)(H,14,15)
InChIKeyYMLZEIVPOGHHDT-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.26
Rot. Bonds2

About 2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid

2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid (PubChem CID 83903030) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid
PubChem CID83903030
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid
SMILESCc1nc2cc(Br)c(CC(=O)O)cc2[nH]1
InChIInChI=1S/C10H9BrN2O2/c1-5-12-8-2-6(3-10(14)15)7(11)4-9(8)13-5/h2,4H,3H2,1H3,(H,12,13)(H,14,15)
InChIKeyYMLZEIVPOGHHDT-UHFFFAOYSA-N
XLogP2.26
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic 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

2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid
CID 116878629
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
4-(2-methyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052609
2-(2,4,5-tribromophenyl)acetic acid
CID 119010967
2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde
CID 83884153
(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine
CID 149051203
3-[(2-methyl-3H-benzimidazol-5-yl)sulfanyl]propanoic acid
CID 116852883
3-[(2-methyl-3H-benzimidazol-5-yl)amino]propanoic acid
CID 82493805
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 59874547
4-[(2-methyl-3H-benzimidazol-5-yl)oxy]butanoic acid
CID 84816240
3,4-diamino-4-(2-methyl-3H-benzimidazol-5-yl)butanoic acid
CID 116942840

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid?
The IUPAC name of 2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid (CID 83903030) is 2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid is Cc1nc2cc(Br)c(CC(=O)O)cc2[nH]1.
What is the InChIKey of 2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid?
The InChIKey is YMLZEIVPOGHHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-5-12-8-2-6(3-10(14)15)7(11)4-9(8)13-5/h2,4H,3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid?
2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid has a molecular weight of 269.10 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid is sourced from PubChem (CID 83903030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).