3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid

C12H10BrN3O2 — CID 84645039

IUPAC3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
SMILESO=C(O)CCc1cn2c(nc3c(Br)cccc32)[nH]1
InChIInChI=1S/C12H10BrN3O2/c13-8-2-1-3-9-11(8)15-12-14-7(6-16(9)12)4-5-10(17)18/h1-3,6H,4-5H2,(H,14,15)(H,17,18)
InChIKeySSAAEUQJPJHONF-UHFFFAOYSA-N
MW308.13 g/mol
LogP2.60
Rot. Bonds3

About 3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid

3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid (PubChem CID 84645039) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.13 g/mol. Its IUPAC name is 3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
PubChem CID84645039
Molecular FormulaC12H10BrN3O2
Molecular Weight308.13 g/mol
Exact Mass307.00
IUPAC Name3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
SMILESO=C(O)CCc1cn2c(nc3c(Br)cccc32)[nH]1
InChIInChI=1S/C12H10BrN3O2/c13-8-2-1-3-9-11(8)15-12-14-7(6-16(9)12)4-5-10(17)18/h1-3,6H,4-5H2,(H,14,15)(H,17,18)
InChIKeySSAAEUQJPJHONF-UHFFFAOYSA-N
XLogP2.60
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84643554
3-(1-bromo-5-chloro-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84646743
(5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84621934
3-(2-amino-4-bromobenzimidazol-1-yl)propanoic acid
CID 84739104
3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84646573
3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid
CID 82409719
3-(8-bromoquinolin-3-yl)propanoic acid
CID 82667595
3-(7-bromoindazol-2-yl)propanoic acid
CID 84729974
3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 84743539
1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
CID 84626072
8-bromo-3-(2-carboxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744413
3-(8-bromo-3-ethoxycarbonyl-2-methylquinolin-4-yl)propanoic acid
CID 167448655

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
The IUPAC name of 3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid (CID 84645039) is 3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid is O=C(O)CCc1cn2c(nc3c(Br)cccc32)[nH]1.
What is the InChIKey of 3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
The InChIKey is SSAAEUQJPJHONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c13-8-2-1-3-9-11(8)15-12-14-7(6-16(9)12)4-5-10(17)18/h1-3,6H,4-5H2,(H,14,15)(H,17,18).
What are the key properties of 3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid has a molecular weight of 308.13 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid is sourced from PubChem (CID 84645039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).