N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

C17H14F4N4OS — CID 40789357

IUPACN-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1SC(F)F)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C17H14F4N4OS/c1-9(13-24-11-6-2-3-7-12(11)25(13)16(18)19)23-14(26)10-5-4-8-22-15(10)27-17(20)21/h2-9,16-17H,1H3,(H,23,26)/t9-/m0/s1
InChIKeyQPIVBLJKKMMUMO-VIFPVBQESA-N
MW398.39 g/mol
LogP4.63
Rot. Bonds6

About N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 40789357) has the molecular formula C17H14F4N4OS and a molecular weight of 398.39 g/mol. Its IUPAC name is N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID40789357
Molecular FormulaC17H14F4N4OS
Molecular Weight398.39 g/mol
Exact Mass398.08
IUPAC NameN-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1SC(F)F)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C17H14F4N4OS/c1-9(13-24-11-6-2-3-7-12(11)25(13)16(18)19)23-14(26)10-5-4-8-22-15(10)27-17(20)21/h2-9,16-17H,1H3,(H,23,26)/t9-/m0/s1
InChIKeyQPIVBLJKKMMUMO-VIFPVBQESA-N
XLogP4.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-4-(2-phenylethynyl)benzamide
CID 24597937
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2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide
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2-chloro-N-[(1R)-3-[[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41272385
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N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 42932140
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1-[1-(4-chlorophenyl)ethyl]-3-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-methylurea
CID 42889930
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide (CID 40789357) is N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide is C[C@H](NC(=O)c1cccnc1SC(F)F)c1nc2ccccc2n1C(F)F.
What is the InChIKey of N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is QPIVBLJKKMMUMO-VIFPVBQESA-N. The full InChI is InChI=1S/C17H14F4N4OS/c1-9(13-24-11-6-2-3-7-12(11)25(13)16(18)19)23-14(26)10-5-4-8-22-15(10)27-17(20)21/h2-9,16-17H,1H3,(H,23,26)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 40789357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).