2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid

C18H11F3N2O2S — CID 13089427

IUPAC2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
SMILESO=C(O)Cc1sc2nc3ccccc3n2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H11F3N2O2S/c19-18(20,21)11-7-5-10(6-8-11)16-14(9-15(24)25)26-17-22-12-3-1-2-4-13(12)23(16)17/h1-8H,9H2,(H,24,25)
InChIKeyDTJKKXULXSRWRE-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.86
Rot. Bonds3

About 2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid

2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid (PubChem CID 13089427) has the molecular formula C18H11F3N2O2S and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
PubChem CID13089427
Molecular FormulaC18H11F3N2O2S
Molecular Weight376.36 g/mol
Exact Mass376.05
IUPAC Name2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
SMILESO=C(O)Cc1sc2nc3ccccc3n2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H11F3N2O2S/c19-18(20,21)11-7-5-10(6-8-11)16-14(9-15(24)25)26-17-22-12-3-1-2-4-13(12)23(16)17/h1-8H,9H2,(H,24,25)
InChIKeyDTJKKXULXSRWRE-UHFFFAOYSA-N
XLogP4.86
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid?
The IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid (CID 13089427) is 2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid is O=C(O)Cc1sc2nc3ccccc3n2c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid?
The InChIKey is DTJKKXULXSRWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O2S/c19-18(20,21)11-7-5-10(6-8-11)16-14(9-15(24)25)26-17-22-12-3-1-2-4-13(12)23(16)17/h1-8H,9H2,(H,24,25).
What are the key properties of 2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid?
2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid has a molecular weight of 376.36 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid is sourced from PubChem (CID 13089427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).