2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

C19H18F3N3OS — CID 51234509

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCn1c(SC(C)C(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21
InChIInChI=1S/C19H18F3N3OS/c1-3-25-16-11-7-6-10-15(16)24-18(25)27-12(2)17(26)23-14-9-5-4-8-13(14)19(20,21)22/h4-12H,3H2,1-2H3,(H,23,26)
InChIKeyGRDYCYICGGTHBS-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.19
Rot. Bonds5

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 51234509) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID51234509
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCn1c(SC(C)C(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21
InChIInChI=1S/C19H18F3N3OS/c1-3-25-16-11-7-6-10-15(16)24-18(25)27-12(2)17(26)23-14-9-5-4-8-13(14)19(20,21)22/h4-12H,3H2,1-2H3,(H,23,26)
InChIKeyGRDYCYICGGTHBS-UHFFFAOYSA-N
XLogP5.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246434
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 46810604
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide
CID 7171358
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499
4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 7171444
(2S)-N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246577
(2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 25330741
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46660249
(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 40716255
(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 37148615
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46621722
2-(3-ethyl-6-fluoro-4-oxoquinazolin-2-yl)sulfanyl-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 166365948

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 51234509) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is CCn1c(SC(C)C(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GRDYCYICGGTHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c1-3-25-16-11-7-6-10-15(16)24-18(25)27-12(2)17(26)23-14-9-5-4-8-13(14)19(20,21)22/h4-12H,3H2,1-2H3,(H,23,26).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 393.43 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 51234509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).