2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine

C32H28N4O4S — CID 69008125

IUPAC2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(C2=NC(c3ccc4c(c3)OCO4)C(c3ccccn3)=N2)CC1
InChIInChI=1S/C32H28N4O4S/c37-41(38,26-12-9-23(10-13-26)22-6-2-1-3-7-22)36-18-15-24(16-19-36)32-34-30(31(35-32)27-8-4-5-17-33-27)25-11-14-28-29(20-25)40-21-39-28/h1-14,17,20,24,30H,15-16,18-19,21H2
InChIKeyIMZJDTDYZJVIDZ-UHFFFAOYSA-N
MW564.67 g/mol
LogP5.52
Rot. Bonds6

About 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine

2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine (PubChem CID 69008125) has the molecular formula C32H28N4O4S and a molecular weight of 564.67 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine
PubChem CID69008125
Molecular FormulaC32H28N4O4S
Molecular Weight564.67 g/mol
Exact Mass564.18
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(C2=NC(c3ccc4c(c3)OCO4)C(c3ccccn3)=N2)CC1
InChIInChI=1S/C32H28N4O4S/c37-41(38,26-12-9-23(10-13-26)22-6-2-1-3-7-22)36-18-15-24(16-19-36)32-34-30(31(35-32)27-8-4-5-17-33-27)25-11-14-28-29(20-25)40-21-39-28/h1-14,17,20,24,30H,15-16,18-19,21H2
InChIKeyIMZJDTDYZJVIDZ-UHFFFAOYSA-N
XLogP5.52
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.67
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine 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

2-[4-(1,3-benzodioxol-5-yl)-2-[1-[(4-phenylphenyl)methylsulfonyl]piperidin-4-yl]-4H-imidazol-5-yl]pyridine
CID 69009525
2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine
CID 110871717
2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine
CID 146643179
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-pyridin-2-ylpiperazine
CID 55346773
(3S)-3-(1,3-benzodioxol-5-yl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidine
CID 94929661
2-[4-(1,3-benzodioxol-5-yl)-2-[1-[(2-nitrophenyl)methylsulfonyl]piperidin-4-yl]-1H-imidazol-5-yl]pyridine
CID 10415078
(3R)-3-(1,3-benzodioxol-5-yl)-1-(2-bromophenyl)sulfonylpyrrolidine
CID 100719827
1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine
CID 3153760
methyl N-[4-[(3S)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 100719993
3-[1-(1,3-benzodioxol-5-ylsulfonyl)piperidin-4-yl]-2-methyl-1H-indole
CID 113087351
2-[4-(1,3-benzodioxol-5-yl)-2-[1-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperidin-4-yl]-1H-imidazol-5-yl]pyridine
CID 69346307
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110868216

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine (CID 69008125) is 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC(C2=NC(c3ccc4c(c3)OCO4)C(c3ccccn3)=N2)CC1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine?
The InChIKey is IMZJDTDYZJVIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O4S/c37-41(38,26-12-9-23(10-13-26)22-6-2-1-3-7-22)36-18-15-24(16-19-36)32-34-30(31(35-32)27-8-4-5-17-33-27)25-11-14-28-29(20-25)40-21-39-28/h1-14,17,20,24,30H,15-16,18-19,21H2.
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine?
2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine has a molecular weight of 564.67 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-2-[1-(4-phenylphenyl)sulfonylpiperidin-4-yl]-4H-imidazol-5-yl]pyridine is sourced from PubChem (CID 69008125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).