1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid

C14H14BrN3O2 — CID 84646569

IUPAC1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCC(C)c1ccc2c(c1)nc1n(C)c(C(=O)O)c(Br)n21
InChIInChI=1S/C14H14BrN3O2/c1-7(2)8-4-5-10-9(6-8)16-14-17(3)11(13(19)20)12(15)18(10)14/h4-7H,1-3H3,(H,19,20)
InChIKeyJEOLHLUOKXTCKP-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.41
Rot. Bonds2

About 1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid

1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid (PubChem CID 84646569) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid
PubChem CID84646569
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCC(C)c1ccc2c(c1)nc1n(C)c(C(=O)O)c(Br)n21
InChIInChI=1S/C14H14BrN3O2/c1-7(2)8-4-5-10-9(6-8)16-14-17(3)11(13(19)20)12(15)18(10)14/h4-7H,1-3H3,(H,19,20)
InChIKeyJEOLHLUOKXTCKP-UHFFFAOYSA-N
XLogP3.41
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84641631
1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84645026
1-bromo-3-methylimidazo[1,2-a]benzimidazole-2,6-dicarboxylic acid
CID 84646646
2-(1-bromo-3-methyl-7-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84646515
2-bromo-6-propan-2-ylquinoline-4-carboxylic acid
CID 82184206
2-[1-(3-oxobutyl)-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333903
2-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]acetic acid
CID 82333901
2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole
CID 83450237
2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole
CID 176703273
(3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630360
3-amino-3-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 116938084
N-methyl-1-(3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84636129

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The IUPAC name of 1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid (CID 84646569) is 1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid.
What is the SMILES notation for 1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The canonical SMILES for 1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid is CC(C)c1ccc2c(c1)nc1n(C)c(C(=O)O)c(Br)n21.
What is the InChIKey of 1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The InChIKey is JEOLHLUOKXTCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-7(2)8-4-5-10-9(6-8)16-14-17(3)11(13(19)20)12(15)18(10)14/h4-7H,1-3H3,(H,19,20).
What are the key properties of 1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid has a molecular weight of 336.19 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-2-carboxylic acid is sourced from PubChem (CID 84646569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).