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

C14H14BrN3O2 — CID 84646575

IUPAC2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid
SMILESCC(C)c1cccc2c1nc1[nH]c(CC(=O)O)c(Br)n12
InChIInChI=1S/C14H14BrN3O2/c1-7(2)8-4-3-5-10-12(8)17-14-16-9(6-11(19)20)13(15)18(10)14/h3-5,7H,6H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyPAFLAQUVOWMBNR-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.33
Rot. Bonds3

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

2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid (PubChem CID 84646575) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid
PubChem CID84646575
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid
SMILESCC(C)c1cccc2c1nc1[nH]c(CC(=O)O)c(Br)n12
InChIInChI=1S/C14H14BrN3O2/c1-7(2)8-4-3-5-10-12(8)17-14-16-9(6-11(19)20)13(15)18(10)14/h3-5,7H,6H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyPAFLAQUVOWMBNR-UHFFFAOYSA-N
XLogP3.33
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84646573
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-(5-chloro-2-methyl-3H-imidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84639275
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
(1-methyl-4-propan-2-ylbenzimidazol-2-yl)methanamine
CID 84620078
2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid
CID 84647011
1-methyl-2-(3-methylbut-2-en-2-yl)-4-propan-2-ylbenzimidazole
CID 126704215
2-(1,2-dimethylbenzimidazol-4-yl)-2-hydroxyacetic acid
CID 117313900
2-(1-methylbenzotriazol-4-yl)acetic acid
CID 83877625
2-[7-propan-2-yl-2-(4-propan-2-ylphenyl)-1H-indol-3-yl]acetic acid
CID 3264642
2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641639

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid (CID 84646575) is 2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid is CC(C)c1cccc2c1nc1[nH]c(CC(=O)O)c(Br)n12.
What is the InChIKey of 2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid?
The InChIKey is PAFLAQUVOWMBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-7(2)8-4-3-5-10-12(8)17-14-16-9(6-11(19)20)13(15)18(10)14/h3-5,7H,6H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid?
2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid has a molecular weight of 336.19 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid is sourced from PubChem (CID 84646575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).