2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid

C13H12F2N2O2S — CID 62532208

IUPAC2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccc(F)c(F)c2n1C1CCC1
InChIInChI=1S/C13H12F2N2O2S/c14-8-4-5-9-12(11(8)15)17(7-2-1-3-7)13(16-9)20-6-10(18)19/h4-5,7H,1-3,6H2,(H,18,19)
InChIKeyGZWVZYQGRXVGOA-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.22
Rot. Bonds4

About 2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid

2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid (PubChem CID 62532208) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid
PubChem CID62532208
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc2ccc(F)c(F)c2n1C1CCC1
InChIInChI=1S/C13H12F2N2O2S/c14-8-4-5-9-12(11(8)15)17(7-2-1-3-7)13(16-9)20-6-10(18)19/h4-5,7H,1-3,6H2,(H,18,19)
InChIKeyGZWVZYQGRXVGOA-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid (CID 62532208) is 2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid is O=C(O)CSc1nc2ccc(F)c(F)c2n1C1CCC1.
What is the InChIKey of 2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid?
The InChIKey is GZWVZYQGRXVGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c14-8-4-5-9-12(11(8)15)17(7-2-1-3-7)13(16-9)20-6-10(18)19/h4-5,7H,1-3,6H2,(H,18,19).
What are the key properties of 2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid?
2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid has a molecular weight of 298.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid is sourced from PubChem (CID 62532208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).