3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid

C13H12FN3O2 — CID 84638484

IUPAC3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid
SMILESCn1c(CCC(=O)O)cn2c3cc(F)ccc3nc12
InChIInChI=1S/C13H12FN3O2/c1-16-9(3-5-12(18)19)7-17-11-6-8(14)2-4-10(11)15-13(16)17/h2,4,6-7H,3,5H2,1H3,(H,18,19)
InChIKeyDTTRDXLRYZXZFP-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.98
Rot. Bonds3

About 3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid

3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid (PubChem CID 84638484) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid
PubChem CID84638484
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid
SMILESCn1c(CCC(=O)O)cn2c3cc(F)ccc3nc12
InChIInChI=1S/C13H12FN3O2/c1-16-9(3-5-12(18)19)7-17-11-6-8(14)2-4-10(11)15-13(16)17/h2,4,6-7H,3,5H2,1H3,(H,18,19)
InChIKeyDTTRDXLRYZXZFP-UHFFFAOYSA-N
XLogP1.98
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-bromo-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84645955
2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84638486
2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
CID 62376035
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
4-(6-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutanoic acid
CID 62934477
3-(6-fluoroquinolin-2-yl)propanoic acid
CID 82242044
1-[(6-fluoro-1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 62377222
3-[5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]propanoic acid
CID 82331977
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 82530345
3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119883587

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
The IUPAC name of 3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid (CID 84638484) is 3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
The canonical SMILES for 3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid is Cn1c(CCC(=O)O)cn2c3cc(F)ccc3nc12.
What is the InChIKey of 3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
The InChIKey is DTTRDXLRYZXZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-16-9(3-5-12(18)19)7-17-11-6-8(14)2-4-10(11)15-13(16)17/h2,4,6-7H,3,5H2,1H3,(H,18,19).
What are the key properties of 3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid has a molecular weight of 261.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid is sourced from PubChem (CID 84638484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).