2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide

C18H16F3N3OS — CID 4815297

IUPAC2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCC(Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)C(N)=O
InChIInChI=1S/C18H16F3N3OS/c1-11(16(22)25)26-17-23-14-9-13(18(19,20)21)7-8-15(14)24(17)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,22,25)
InChIKeyVSVHDHDKFNLBJR-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.07
Rot. Bonds5

About 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide

2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 4815297) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID4815297
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCC(Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)C(N)=O
InChIInChI=1S/C18H16F3N3OS/c1-11(16(22)25)26-17-23-14-9-13(18(19,20)21)7-8-15(14)24(17)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,22,25)
InChIKeyVSVHDHDKFNLBJR-UHFFFAOYSA-N
XLogP4.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 25346331
3-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46689137
(2R)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 94371570
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide
CID 177370204
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 4033074
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 26434941
(2R)-2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-N-carbamoylpropanamide
CID 7024063
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
N-(benzylcarbamoyl)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3604261
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetate
CID 51672963
(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2618889
2-[3-benzyl-4-oxo-7-(trifluoromethyl)quinazolin-2-yl]-3-methylbutanamide
CID 57435298

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide (CID 4815297) is 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide is CC(Sc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is VSVHDHDKFNLBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c1-11(16(22)25)26-17-23-14-9-13(18(19,20)21)7-8-15(14)24(17)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,22,25).
What are the key properties of 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 379.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 4815297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).