6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid

C11H9N3O2 — CID 84622077

IUPAC6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCc1ccc2c(c1)nc1[nH]c(C(=O)O)cn12
InChIInChI=1S/C11H9N3O2/c1-6-2-3-9-7(4-6)12-11-13-8(10(15)16)5-14(9)11/h2-5H,1H3,(H,12,13)(H,15,16)
InChIKeyXSNBHPRPGNPZPP-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.82
Rot. Bonds1

About 6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid

6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid (PubChem CID 84622077) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
PubChem CID84622077
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCc1ccc2c(c1)nc1[nH]c(C(=O)O)cn12
InChIInChI=1S/C11H9N3O2/c1-6-2-3-9-7(4-6)12-11-13-8(10(15)16)5-14(9)11/h2-5H,1H3,(H,12,13)(H,15,16)
InChIKeyXSNBHPRPGNPZPP-UHFFFAOYSA-N
XLogP1.82
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-3H-imidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84625789
1-bromo-3,6-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84645026
N-methyl-2-(7-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84625486
2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
CID 84786090
2-(1-bromo-6-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84643891
(6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630361
3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid
CID 84799353
1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83844047
2-methyl-3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 103499832
10-bromo-3-methylbenzimidazolo[1,2-b]isoquinoline
CID 163591158
3-tert-butyl-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83840855
7-methyl-4-phenylpyrrolo[1,2-a]quinoxaline
CID 132523762

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid?
The IUPAC name of 6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid (CID 84622077) is 6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid.
What is the SMILES notation for 6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid?
The canonical SMILES for 6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid is Cc1ccc2c(c1)nc1[nH]c(C(=O)O)cn12.
What is the InChIKey of 6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid?
The InChIKey is XSNBHPRPGNPZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-6-2-3-9-7(4-6)12-11-13-8(10(15)16)5-14(9)11/h2-5H,1H3,(H,12,13)(H,15,16).
What are the key properties of 6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid?
6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid is sourced from PubChem (CID 84622077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).