2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid

C11H6F2N4O2S — CID 65215465

IUPAC2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cnns2)nc2cc(F)c(F)cc21
InChIInChI=1S/C11H6F2N4O2S/c12-5-1-7-8(2-6(5)13)17(4-10(18)19)11(15-7)9-3-14-16-20-9/h1-3H,4H2,(H,18,19)
InChIKeyLCTFNWGDCBREPL-UHFFFAOYSA-N
MW296.26 g/mol
LogP1.92
Rot. Bonds3

About 2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid

2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid (PubChem CID 65215465) has the molecular formula C11H6F2N4O2S and a molecular weight of 296.26 g/mol. Its IUPAC name is 2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid
PubChem CID65215465
Molecular FormulaC11H6F2N4O2S
Molecular Weight296.26 g/mol
Exact Mass296.02
IUPAC Name2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cnns2)nc2cc(F)c(F)cc21
InChIInChI=1S/C11H6F2N4O2S/c12-5-1-7-8(2-6(5)13)17(4-10(18)19)11(15-7)9-3-14-16-20-9/h1-3H,4H2,(H,18,19)
InChIKeyLCTFNWGDCBREPL-UHFFFAOYSA-N
XLogP1.92
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5,6-dichloro-2-(thiadiazol-5-yl)benzimidazol-1-yl]propanoic acid
CID 82005897
2-[5,6-difluoro-2-(5-methylfuran-3-yl)benzimidazol-1-yl]acetic acid
CID 114821661
2-[2-(3-bromothiophen-2-yl)-5,6-difluorobenzimidazol-1-yl]acetic acid
CID 63796398
2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid
CID 62804398
3-[5,6-difluoro-2-(thiadiazol-4-yl)benzimidazol-1-yl]propanoic acid
CID 65216110
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propanoic acid
CID 82146187
2-[5,6-difluoro-2-(2-methyloxolan-3-yl)benzimidazol-1-yl]acetic acid
CID 79755701
2-[5,6-dimethyl-2-(trichloromethyl)benzimidazol-1-yl]acetic acid
CID 94748222
2-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 82145200
2-[5,6-dichloro-2-(5-iodothiophen-3-yl)benzimidazol-1-yl]acetic acid
CID 82005738
4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid
CID 82359205
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid (CID 65215465) is 2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid is O=C(O)Cn1c(-c2cnns2)nc2cc(F)c(F)cc21.
What is the InChIKey of 2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid?
The InChIKey is LCTFNWGDCBREPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N4O2S/c12-5-1-7-8(2-6(5)13)17(4-10(18)19)11(15-7)9-3-14-16-20-9/h1-3H,4H2,(H,18,19).
What are the key properties of 2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid?
2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid has a molecular weight of 296.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-difluoro-2-(thiadiazol-5-yl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 65215465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).