N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C18H11F3N4O2S — CID 59980686

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1csc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H11F3N4O2S/c19-18(20,21)11-4-2-1-3-10(11)16-23-14(8-28-16)15(26)22-9-5-6-12-13(7-9)25-17(27)24-12/h1-8H,(H,22,26)(H2,24,25,27)
InChIKeyAREMXLKETQTKKU-UHFFFAOYSA-N
MW404.37 g/mol
LogP4.25
Rot. Bonds3

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 59980686) has the molecular formula C18H11F3N4O2S and a molecular weight of 404.37 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID59980686
Molecular FormulaC18H11F3N4O2S
Molecular Weight404.37 g/mol
Exact Mass404.06
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1csc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H11F3N4O2S/c19-18(20,21)11-4-2-1-3-10(11)16-23-14(8-28-16)15(26)22-9-5-6-12-13(7-9)25-17(27)24-12/h1-8H,(H,22,26)(H2,24,25,27)
InChIKeyAREMXLKETQTKKU-UHFFFAOYSA-N
XLogP4.25
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 59980686) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1csc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AREMXLKETQTKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O2S/c19-18(20,21)11-4-2-1-3-10(11)16-23-14(8-28-16)15(26)22-9-5-6-12-13(7-9)25-17(27)24-12/h1-8H,(H,22,26)(H2,24,25,27).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 404.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59980686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).