N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide

C19H17F2N3O2S — CID 51280107

IUPACN-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Sc2nc3ccccc3n2C(F)F)c1
InChIInChI=1S/C19H17F2N3O2S/c1-11(25)13-6-5-7-14(10-13)22-17(26)12(2)27-19-23-15-8-3-4-9-16(15)24(19)18(20)21/h3-10,12,18H,1-2H3,(H,22,26)
InChIKeyVLEVJOBPYKSRDY-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.75
Rot. Bonds6

About N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide

N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 51280107) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID51280107
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC NameN-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Sc2nc3ccccc3n2C(F)F)c1
InChIInChI=1S/C19H17F2N3O2S/c1-11(25)13-6-5-7-14(10-13)22-17(26)12(2)27-19-23-15-8-3-4-9-16(15)24(19)18(20)21/h3-10,12,18H,1-2H3,(H,22,26)
InChIKeyVLEVJOBPYKSRDY-UHFFFAOYSA-N
XLogP4.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
CID 7251062
(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 33249136
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(4-ethylphenyl)propanamide
CID 46574997
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46660249
N-(tert-butylcarbamoyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 51280153
N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136686121
(2S)-N-(3-chlorophenyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 2617544
(2R)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 40529142
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 47021928
(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2362911
(2R)-N-(3-acetylphenyl)-2-cinnolin-4-ylsulfanylpropanamide
CID 25381515
(2S)-N-(3-cyanophenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7224544

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide (CID 51280107) is N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide is CC(=O)c1cccc(NC(=O)C(C)Sc2nc3ccccc3n2C(F)F)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is VLEVJOBPYKSRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-11(25)13-6-5-7-14(10-13)22-17(26)12(2)27-19-23-15-8-3-4-9-16(15)24(19)18(20)21/h3-10,12,18H,1-2H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide?
N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 389.43 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 51280107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).