3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide

C20H18F3N3OS — CID 166211838

IUPAC3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide
SMILESNC(=O)C(Cc1ccccc1)Sc1ncc(-c2ccccc2)n1CC(F)(F)F
InChIInChI=1S/C20H18F3N3OS/c21-20(22,23)13-26-16(15-9-5-2-6-10-15)12-25-19(26)28-17(18(24)27)11-14-7-3-1-4-8-14/h1-10,12,17H,11,13H2,(H2,24,27)
InChIKeyRLPWHVVSQNNBMB-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.30
Rot. Bonds7

About 3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide

3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 166211838) has the molecular formula C20H18F3N3OS and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID166211838
Molecular FormulaC20H18F3N3OS
Molecular Weight405.45 g/mol
Exact Mass405.11
IUPAC Name3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide
SMILESNC(=O)C(Cc1ccccc1)Sc1ncc(-c2ccccc2)n1CC(F)(F)F
InChIInChI=1S/C20H18F3N3OS/c21-20(22,23)13-26-16(15-9-5-2-6-10-15)12-25-19(26)28-17(18(24)27)11-14-7-3-1-4-8-14/h1-10,12,17H,11,13H2,(H2,24,27)
InChIKeyRLPWHVVSQNNBMB-UHFFFAOYSA-N
XLogP4.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole
CID 60607055
2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 18139283
1-phenyl-5-[[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-triazole
CID 138038597
3-cyclobutyl-4-methyl-5-[[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-triazole
CID 138038666
(2S)-2-[1-benzyl-5-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-carbamoyl-3-methylbutanamide
CID 41190619
2-[1-(3-methylbutyl)-5-phenylimidazol-2-yl]sulfanylacetic acid
CID 43327211
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-3-phenylpropanamide
CID 138562360
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-3-phenylpropanamide
CID 146089254
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-methyl-3-phenylpropanamide
CID 75503014
2-(1-butyl-5-phenylimidazol-2-yl)sulfanylacetic acid
CID 43327210
ethyl 3-phenyl-2-(trifluoromethylsulfanyl)propanoate
CID 132505525
2-(5-fluoropyrimidin-2-yl)sulfanyl-3-phenylpropanoic acid
CID 113432101

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of 3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide (CID 166211838) is 3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for 3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for 3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide is NC(=O)C(Cc1ccccc1)Sc1ncc(-c2ccccc2)n1CC(F)(F)F.
What is the InChIKey of 3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is RLPWHVVSQNNBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3OS/c21-20(22,23)13-26-16(15-9-5-2-6-10-15)12-25-19(26)28-17(18(24)27)11-14-7-3-1-4-8-14/h1-10,12,17H,11,13H2,(H2,24,27).
What are the key properties of 3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide?
3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 405.45 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[5-phenyl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 166211838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).