2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide

C18H16F3N3OS — CID 18194956

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C18H16F3N3OS/c19-18(20,21)12-24(10-13-6-2-1-3-7-13)16(25)11-26-17-22-14-8-4-5-9-15(14)23-17/h1-9H,10-12H2,(H,22,23)
InChIKeyWWLDLTUGGNFFRQ-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.25
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 18194956) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID18194956
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C18H16F3N3OS/c19-18(20,21)12-24(10-13-6-2-1-3-7-13)16(25)11-26-17-22-14-8-4-5-9-15(14)23-17/h1-9H,10-12H2,(H,22,23)
InChIKeyWWLDLTUGGNFFRQ-UHFFFAOYSA-N
XLogP4.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 1282459
N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
CID 20890954
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 40565640
2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride
CID 21179427
N-benzyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 18134301
N,N-dibenzyl-2-[3-[2-(dibenzylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide
CID 3641810
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2-fluorophenyl)ethanone
CID 2436081
4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 81075244
3-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 720877
N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2483829
2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
CID 134106203
N-[1H-benzimidazol-2-ylsulfanyl(phenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 139649364

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide (CID 18194956) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1nc2ccccc2[nH]1)N(Cc1ccccc1)CC(F)(F)F.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WWLDLTUGGNFFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c19-18(20,21)12-24(10-13-6-2-1-3-7-13)16(25)11-26-17-22-14-8-4-5-9-15(14)23-17/h1-9H,10-12H2,(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 379.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 18194956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).