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

C14H14BrN3O2 — CID 84646573

IUPAC3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
SMILESCCc1cccc2c1nc1[nH]c(CCC(=O)O)c(Br)n12
InChIInChI=1S/C14H14BrN3O2/c1-2-8-4-3-5-10-12(8)17-14-16-9(6-7-11(19)20)13(15)18(10)14/h3-5H,2,6-7H2,1H3,(H,16,17)(H,19,20)
InChIKeyIIGBPNLVSUFUQA-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.16
Rot. Bonds4

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

3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid (PubChem CID 84646573) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
PubChem CID84646573
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
SMILESCCc1cccc2c1nc1[nH]c(CCC(=O)O)c(Br)n12
InChIInChI=1S/C14H14BrN3O2/c1-2-8-4-3-5-10-12(8)17-14-16-9(6-7-11(19)20)13(15)18(10)14/h3-5H,2,6-7H2,1H3,(H,16,17)(H,19,20)
InChIKeyIIGBPNLVSUFUQA-UHFFFAOYSA-N
XLogP3.16
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-bromo-5-chloro-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84646743
(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84643908
2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid
CID 84646575
3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84645039
2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641639
2-(5-chloro-2-methyl-3H-imidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84639275
5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84636555
(5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84621934
3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 84743539
3-(2-ethyl-6-methylphenyl)propanoic acid
CID 82158159
3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid
CID 83836478
3-(2-tert-butyl-8-ethylquinolin-4-yl)propanoic acid
CID 82448026

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
The IUPAC name of 3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid (CID 84646573) is 3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
The canonical SMILES for 3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid is CCc1cccc2c1nc1[nH]c(CCC(=O)O)c(Br)n12.
What is the InChIKey of 3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
The InChIKey is IIGBPNLVSUFUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-2-8-4-3-5-10-12(8)17-14-16-9(6-7-11(19)20)13(15)18(10)14/h3-5H,2,6-7H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid has a molecular weight of 336.19 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid is sourced from PubChem (CID 84646573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).