2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C19H13F3N4OS — CID 9400179

IUPAC2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)12-5-7-13(8-6-12)24-17(27)9-26-16-4-2-1-3-14(16)25-18(26)15-10-28-11-23-15/h1-8,10-11H,9H2,(H,24,27)
InChIKeyJEKPMMKYMMSUBJ-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.82
Rot. Bonds4

About 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 9400179) has the molecular formula C19H13F3N4OS and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID9400179
Molecular FormulaC19H13F3N4OS
Molecular Weight402.40 g/mol
Exact Mass402.08
IUPAC Name2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H13F3N4OS/c20-19(21,22)12-5-7-13(8-6-12)24-17(27)9-26-16-4-2-1-3-14(16)25-18(26)15-10-28-11-23-15/h1-8,10-11H,9H2,(H,24,27)
InChIKeyJEKPMMKYMMSUBJ-UHFFFAOYSA-N
XLogP4.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 9400179) is 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JEKPMMKYMMSUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS/c20-19(21,22)12-5-7-13(8-6-12)24-17(27)9-26-16-4-2-1-3-14(16)25-18(26)15-10-28-11-23-15/h1-8,10-11H,9H2,(H,24,27).
What are the key properties of 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 402.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9400179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).