5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid

C14H15N3O2 — CID 84636555

IUPAC5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid
SMILESCCc1cccc2c1nc1n(C)c(C)c(C(=O)O)n21
InChIInChI=1S/C14H15N3O2/c1-4-9-6-5-7-10-11(9)15-14-16(3)8(2)12(13(18)19)17(10)14/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyURBZKVSNQKWIHL-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.40
Rot. Bonds2

About 5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid

5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid (PubChem CID 84636555) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid
PubChem CID84636555
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid
SMILESCCc1cccc2c1nc1n(C)c(C)c(C(=O)O)n21
InChIInChI=1S/C14H15N3O2/c1-4-9-6-5-7-10-11(9)15-14-16(3)8(2)12(13(18)19)17(10)14/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyURBZKVSNQKWIHL-UHFFFAOYSA-N
XLogP2.40
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641639
azane;2,4-diethyl-1-methylbenzimidazole
CID 69090242
4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole
CID 118336706
2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84641631
2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84630754
4-ethyl-1,2,3-trimethylindole
CID 118253289
3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84646573
3-bromo-1,4-dimethylindole-2-carboxylic acid
CID 115049841
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
3-(2-ethylphenyl)-2,5-dimethylimidazole-4-carboxylic acid
CID 82294284
7-ethyl-1,2-dimethylindole-3-carboxylic acid
CID 82493307
2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641648

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid?
The IUPAC name of 5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid (CID 84636555) is 5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid.
What is the SMILES notation for 5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid?
The canonical SMILES for 5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid is CCc1cccc2c1nc1n(C)c(C)c(C(=O)O)n21.
What is the InChIKey of 5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid?
The InChIKey is URBZKVSNQKWIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-4-9-6-5-7-10-11(9)15-14-16(3)8(2)12(13(18)19)17(10)14/h5-7H,4H2,1-3H3,(H,18,19).
What are the key properties of 5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid?
5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid is sourced from PubChem (CID 84636555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).