2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide

C20H26F2N4OS — CID 56569606

IUPAC2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
SMILESCC(C)=CCN1CCC(NC(=O)Cn2c(SC(F)F)nc3ccccc32)CC1
InChIInChI=1S/C20H26F2N4OS/c1-14(2)7-10-25-11-8-15(9-12-25)23-18(27)13-26-17-6-4-3-5-16(17)24-20(26)28-19(21)22/h3-7,15,19H,8-13H2,1-2H3,(H,23,27)
InChIKeyDHAVBLCRPLHZON-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.90
Rot. Bonds7

About 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide (PubChem CID 56569606) has the molecular formula C20H26F2N4OS and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
PubChem CID56569606
Molecular FormulaC20H26F2N4OS
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
SMILESCC(C)=CCN1CCC(NC(=O)Cn2c(SC(F)F)nc3ccccc32)CC1
InChIInChI=1S/C20H26F2N4OS/c1-14(2)7-10-25-11-8-15(9-12-25)23-18(27)13-26-17-6-4-3-5-16(17)24-20(26)28-19(21)22/h3-7,15,19H,8-13H2,1-2H3,(H,23,27)
InChIKeyDHAVBLCRPLHZON-UHFFFAOYSA-N
XLogP3.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide 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

tert-butyl 4-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 55985659
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 55406074
1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
N-cyclopentyl-2-[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 3224649
2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide
CID 86908094
N-[4-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]-3-methylbutanamide
CID 46543245
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 75479114
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 39953718
2-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
CID 24793357
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 51238043
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30764002

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide (CID 56569606) is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide is CC(C)=CCN1CCC(NC(=O)Cn2c(SC(F)F)nc3ccccc32)CC1.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide?
The InChIKey is DHAVBLCRPLHZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4OS/c1-14(2)7-10-25-11-8-15(9-12-25)23-18(27)13-26-17-6-4-3-5-16(17)24-20(26)28-19(21)22/h3-7,15,19H,8-13H2,1-2H3,(H,23,27).
What are the key properties of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide?
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide has a molecular weight of 408.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 56569606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).