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

C19H13F3N4O2S — CID 24538043

IUPAC2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H13F3N4O2S/c20-19(21,22)28-13-7-5-12(6-8-13)24-17(27)9-26-16-4-2-1-3-14(16)25-18(26)15-10-29-11-23-15/h1-8,10-11H,9H2,(H,24,27)
InChIKeyFIMCTLSERDRJMJ-UHFFFAOYSA-N
MW418.40 g/mol
LogP4.70
Rot. Bonds5

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

2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 24538043) has the molecular formula C19H13F3N4O2S and a molecular weight of 418.40 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID24538043
Molecular FormulaC19H13F3N4O2S
Molecular Weight418.40 g/mol
Exact Mass418.07
IUPAC Name2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H13F3N4O2S/c20-19(21,22)28-13-7-5-12(6-8-13)24-17(27)9-26-16-4-2-1-3-14(16)25-18(26)15-10-29-11-23-15/h1-8,10-11H,9H2,(H,24,27)
InChIKeyFIMCTLSERDRJMJ-UHFFFAOYSA-N
XLogP4.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 24538043) is 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is FIMCTLSERDRJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2S/c20-19(21,22)28-13-7-5-12(6-8-13)24-17(27)9-26-16-4-2-1-3-14(16)25-18(26)15-10-29-11-23-15/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-(trifluoromethoxy)phenyl]acetamide?
2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 418.40 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 24538043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).