2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid

C13H12FN3O2 — CID 84638486

IUPAC2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
SMILESCc1c(CC(=O)O)n2c3cc(F)ccc3nc2n1C
InChIInChI=1S/C13H12FN3O2/c1-7-10(6-12(18)19)17-11-5-8(14)3-4-9(11)15-13(17)16(7)2/h3-5H,6H2,1-2H3,(H,18,19)
InChIKeyWSUHFCLTSDECJZ-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.90
Rot. Bonds2

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

2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid (PubChem CID 84638486) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
PubChem CID84638486
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
SMILESCc1c(CC(=O)O)n2c3cc(F)ccc3nc2n1C
InChIInChI=1S/C13H12FN3O2/c1-7-10(6-12(18)19)17-11-5-8(14)3-4-9(11)15-13(17)16(7)2/h3-5H,6H2,1-2H3,(H,18,19)
InChIKeyWSUHFCLTSDECJZ-UHFFFAOYSA-N
XLogP1.90
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84630754
2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641639
3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84638484
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
2-[(6-fluoro-1-methylbenzimidazol-2-yl)methoxy]acetic acid
CID 62376035
4-(6-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutanoic acid
CID 62934477
ethyl 6-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357942
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
CID 55067796
2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-methylpropanamide
CID 62376352
1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 122048394
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid (CID 84638486) is 2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid is Cc1c(CC(=O)O)n2c3cc(F)ccc3nc2n1C.
What is the InChIKey of 2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
The InChIKey is WSUHFCLTSDECJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-7-10(6-12(18)19)17-11-5-8(14)3-4-9(11)15-13(17)16(7)2/h3-5H,6H2,1-2H3,(H,18,19).
What are the key properties of 2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid has a molecular weight of 261.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84638486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).