1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid

C12H10BrN3O2 — CID 84645044

IUPAC1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCc1cc(C)c2nc3[nH]c(C(=O)O)c(Br)n3c2c1
InChIInChI=1S/C12H10BrN3O2/c1-5-3-6(2)8-7(4-5)16-10(13)9(11(17)18)15-12(16)14-8/h3-4H,1-2H3,(H,14,15)(H,17,18)
InChIKeyUHYBNNIIJWORRJ-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.89
Rot. Bonds1

About 1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid

1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid (PubChem CID 84645044) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
PubChem CID84645044
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCc1cc(C)c2nc3[nH]c(C(=O)O)c(Br)n3c2c1
InChIInChI=1S/C12H10BrN3O2/c1-5-3-6(2)8-7(4-5)16-10(13)9(11(17)18)15-12(16)14-8/h3-4H,1-2H3,(H,14,15)(H,17,18)
InChIKeyUHYBNNIIJWORRJ-UHFFFAOYSA-N
XLogP2.89
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641648
2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84625789
6-bromo-2,4-dimethylbenzimidazole-1-carboxylic acid
CID 123767002
1,2,4,6-tetramethylbenzimidazole
CID 58565379
6-bromo-1,4-dimethylbenzimidazole-2-carboxylic acid
CID 84641063
2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
CID 3159719
2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid
CID 84638251
4-bromo-6-methyl-1H-benzimidazole-2-carboxylic acid
CID 84635509
(E)-3-(4,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)prop-2-enoic acid
CID 84637191
1-bromo-7-fluoro-4H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84644450
5,7-dimethyl-2-[(2-methyl-1H-indol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1001420
2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid
CID 84646575

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid?
The IUPAC name of 1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid (CID 84645044) is 1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid.
What is the SMILES notation for 1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid?
The canonical SMILES for 1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid is Cc1cc(C)c2nc3[nH]c(C(=O)O)c(Br)n3c2c1.
What is the InChIKey of 1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid?
The InChIKey is UHYBNNIIJWORRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-5-3-6(2)8-7(4-5)16-10(13)9(11(17)18)15-12(16)14-8/h3-4H,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid?
1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid has a molecular weight of 308.14 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid is sourced from PubChem (CID 84645044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).