[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone

C19H18F2N4OS — CID 42932440

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1SC(F)F)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H18F2N4OS/c20-19(21)27-17-13(6-3-9-22-17)18(26)25-10-4-5-12(11-25)16-23-14-7-1-2-8-15(14)24-16/h1-3,6-9,12,19H,4-5,10-11H2,(H,23,24)
InChIKeyGEVYMPITIRASNK-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.29
Rot. Bonds4

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone (PubChem CID 42932440) has the molecular formula C19H18F2N4OS and a molecular weight of 388.44 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone
PubChem CID42932440
Molecular FormulaC19H18F2N4OS
Molecular Weight388.44 g/mol
Exact Mass388.12
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1SC(F)F)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C19H18F2N4OS/c20-19(21)27-17-13(6-3-9-22-17)18(26)25-10-4-5-12(11-25)16-23-14-7-1-2-8-15(14)24-16/h1-3,6-9,12,19H,4-5,10-11H2,(H,23,24)
InChIKeyGEVYMPITIRASNK-UHFFFAOYSA-N
XLogP4.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 28667761
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
CID 70722462
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromo-2-hydroxyphenyl)methanone
CID 55497026
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylindol-4-yl)methanone
CID 95861103
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
CID 95868077
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone (CID 42932440) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone is O=C(c1cccnc1SC(F)F)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone?
The InChIKey is GEVYMPITIRASNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4OS/c20-19(21)27-17-13(6-3-9-22-17)18(26)25-10-4-5-12(11-25)16-23-14-7-1-2-8-15(14)24-16/h1-3,6-9,12,19H,4-5,10-11H2,(H,23,24).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone has a molecular weight of 388.44 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(difluoromethylsulfanyl)-3-pyridinyl]methanone is sourced from PubChem (CID 42932440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).