5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid

C11H7F2N3O2 — CID 84634205

IUPAC5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCn1c(C(=O)O)cn2c3cc(F)cc(F)c3nc12
InChIInChI=1S/C11H7F2N3O2/c1-15-8(10(17)18)4-16-7-3-5(12)2-6(13)9(7)14-11(15)16/h2-4H,1H3,(H,17,18)
InChIKeyHUOCFZRFOKMQDF-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.80
Rot. Bonds1

About 5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid

5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid (PubChem CID 84634205) has the molecular formula C11H7F2N3O2 and a molecular weight of 251.19 g/mol. Its IUPAC name is 5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
PubChem CID84634205
Molecular FormulaC11H7F2N3O2
Molecular Weight251.19 g/mol
Exact Mass251.05
IUPAC Name5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
SMILESCn1c(C(=O)O)cn2c3cc(F)cc(F)c3nc12
InChIInChI=1S/C11H7F2N3O2/c1-15-8(10(17)18)4-16-7-3-5(12)2-6(13)9(7)14-11(15)16/h2-4H,1H3,(H,17,18)
InChIKeyHUOCFZRFOKMQDF-UHFFFAOYSA-N
XLogP1.80
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3,5-dimethylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84639283
6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84633575
1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone
CID 84621348
3-methylimidazo[1,2-a]benzimidazole-2,7-dicarboxylic acid
CID 84637569
6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84642106
4-fluoro-1-methylpyrrole-2-carboxylic acid
CID 84648823
2-[1-(dimethylamino)-4,6-difluorobenzimidazol-2-yl]sulfanylacetic acid
CID 83018087
3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84638484
2-(4,6-difluoro-1-pentan-3-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 115508515
6,8-difluoro-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 143812494
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate
CID 113325619
6,8-difluoroquinoline-3-carboxylic acid
CID 22452302

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The IUPAC name of 5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid (CID 84634205) is 5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid.
What is the SMILES notation for 5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The canonical SMILES for 5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid is Cn1c(C(=O)O)cn2c3cc(F)cc(F)c3nc12.
What is the InChIKey of 5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
The InChIKey is HUOCFZRFOKMQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O2/c1-15-8(10(17)18)4-16-7-3-5(12)2-6(13)9(7)14-11(15)16/h2-4H,1H3,(H,17,18).
What are the key properties of 5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid?
5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid has a molecular weight of 251.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid is sourced from PubChem (CID 84634205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).