2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

C22H19F3N4O2S — CID 16579329

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c2ccccc21
InChIInChI=1S/C22H19F3N4O2S/c1-2-28-17-8-3-4-9-18(17)29(21(28)31)13-19(30)27-20-26-12-16(32-20)11-14-6-5-7-15(10-14)22(23,24)25/h3-10,12H,2,11,13H2,1H3,(H,26,27,30)
InChIKeyIDMDXQQZNVKDPO-UHFFFAOYSA-N
MW460.48 g/mol
LogP4.53
Rot. Bonds6

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 16579329) has the molecular formula C22H19F3N4O2S and a molecular weight of 460.48 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID16579329
Molecular FormulaC22H19F3N4O2S
Molecular Weight460.48 g/mol
Exact Mass460.12
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c2ccccc21
InChIInChI=1S/C22H19F3N4O2S/c1-2-28-17-8-3-4-9-18(17)29(21(28)31)13-19(30)27-20-26-12-16(32-20)11-14-6-5-7-15(10-14)22(23,24)25/h3-10,12H,2,11,13H2,1H3,(H,26,27,30)
InChIKeyIDMDXQQZNVKDPO-UHFFFAOYSA-N
XLogP4.53
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 16579329) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is CCn1c(=O)n(CC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IDMDXQQZNVKDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2S/c1-2-28-17-8-3-4-9-18(17)29(21(28)31)13-19(30)27-20-26-12-16(32-20)11-14-6-5-7-15(10-14)22(23,24)25/h3-10,12H,2,11,13H2,1H3,(H,26,27,30).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 460.48 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16579329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).