2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole

C19H18F3N3O2S — CID 16582835

IUPAC2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H18F3N3O2S/c20-19(21,22)14-4-3-5-15(12-14)28(26,27)25-10-8-13(9-11-25)18-23-16-6-1-2-7-17(16)24-18/h1-7,12-13H,8-11H2,(H,23,24)
InChIKeyPYMCILPFNOYFET-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.15
Rot. Bonds3

About 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole

2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole (PubChem CID 16582835) has the molecular formula C19H18F3N3O2S and a molecular weight of 409.43 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
PubChem CID16582835
Molecular FormulaC19H18F3N3O2S
Molecular Weight409.43 g/mol
Exact Mass409.11
IUPAC Name2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H18F3N3O2S/c20-19(21,22)14-4-3-5-15(12-14)28(26,27)25-10-8-13(9-11-25)18-23-16-6-1-2-7-17(16)24-18/h1-7,12-13H,8-11H2,(H,23,24)
InChIKeyPYMCILPFNOYFET-UHFFFAOYSA-N
XLogP4.15
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 155902768
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18268675
2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505893
5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 172895773
2-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582851
2-[1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 112807240
2-[1-(benzenesulfonyl)azetidin-3-yl]-1H-benzimidazole
CID 90505852
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18575330
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 18133809
3-[(2-chlorophenyl)methyl]-5-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135417842
molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 142409926

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole (CID 16582835) is 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole?
The InChIKey is PYMCILPFNOYFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S/c20-19(21,22)14-4-3-5-15(12-14)28(26,27)25-10-8-13(9-11-25)18-23-16-6-1-2-7-17(16)24-18/h1-7,12-13H,8-11H2,(H,23,24).
What are the key properties of 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole?
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole has a molecular weight of 409.43 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 16582835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).