1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate

C17H21F2N3O4S — CID 55507255

IUPAC1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(S(C)(=O)=O)CC1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C17H21F2N3O4S/c1-11(15-20-13-5-3-4-6-14(13)22(15)17(18)19)26-16(23)12-7-9-21(10-8-12)27(2,24)25/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyFMNZKPAEIGISPK-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.71
Rot. Bonds5

About 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate (PubChem CID 55507255) has the molecular formula C17H21F2N3O4S and a molecular weight of 401.44 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate
PubChem CID55507255
Molecular FormulaC17H21F2N3O4S
Molecular Weight401.44 g/mol
Exact Mass401.12
IUPAC Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate
SMILESCC(OC(=O)C1CCN(S(C)(=O)=O)CC1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C17H21F2N3O4S/c1-11(15-20-13-5-3-4-6-14(13)22(15)17(18)19)26-16(23)12-7-9-21(10-8-12)27(2,24)25/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyFMNZKPAEIGISPK-UHFFFAOYSA-N
XLogP2.71
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate 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

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-butylsulfonylpiperidine-4-carboxylate
CID 55773724
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate
CID 134011207
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
CID 55414432
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 134041184
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
CID 18155834
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-(2,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 55606652
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,5-difluorobenzoate
CID 18155838
[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 3-fluorobenzoate
CID 52548700
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CID 78799130
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 6-methylpyridine-2-carboxylate
CID 134001745
[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 1-methylindole-3-carboxylate
CID 52532641
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate
CID 41308558

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate?
The IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate (CID 55507255) is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate is CC(OC(=O)C1CCN(S(C)(=O)=O)CC1)c1nc2ccccc2n1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate?
The InChIKey is FMNZKPAEIGISPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O4S/c1-11(15-20-13-5-3-4-6-14(13)22(15)17(18)19)26-16(23)12-7-9-21(10-8-12)27(2,24)25/h3-6,11-12,17H,7-10H2,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate?
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate has a molecular weight of 401.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 55507255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).