6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid

C13H13N3O4 — CID 84642106

IUPAC6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCOc1cc2nc3n(C)c(C(=O)O)cn3c2cc1OC
InChIInChI=1S/C13H13N3O4/c1-15-9(12(17)18)6-16-8-5-11(20-3)10(19-2)4-7(8)14-13(15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyJVJXICMAILMWER-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.54
Rot. Bonds3

About 6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid

6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid (PubChem CID 84642106) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
PubChem CID84642106
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCOc1cc2nc3n(C)c(C(=O)O)cn3c2cc1OC
InChIInChI=1S/C13H13N3O4/c1-15-9(12(17)18)6-16-8-5-11(20-3)10(19-2)4-7(8)14-13(15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyJVJXICMAILMWER-UHFFFAOYSA-N
XLogP1.54
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid
CID 84637569
6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84633575
5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84634205
7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84639283
6,7-Dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylic acid--triaza-1,2-dien-2-ium-1-ide (1/1)
CID 53439503
5,6-dimethoxy-1,2-dimethylbenzimidazole
CID 67341482
3-[5,6-dimethoxy-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 61365700
2-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)acetic acid
CID 61364519
4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid
CID 130408616
methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate
CID 14718200
3-[2-[(1S)-1-hydroxyethyl]-5,6-dimethoxybenzimidazol-1-yl]propanoic acid
CID 66262870
4-(2-ethyl-5,6-dimethoxybenzimidazol-1-yl)butanoic acid
CID 82150037

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid (CID 84642106) is 6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid is COc1cc2nc3n(C)c(C(=O)O)cn3c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The InChIKey is JVJXICMAILMWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-15-9(12(17)18)6-16-8-5-11(20-3)10(19-2)4-7(8)14-13(15)16/h4-6H,1-3H3,(H,17,18).
What are the key properties of 6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid is sourced from PubChem (CID 84642106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).