1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide

C21H27IN4O2S — CID 166350730

IUPAC1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide
SMILESI.O=S(=O)(Nc1ccccc1)C1CCCN(C2=NCCN2Cc2ccccc2)C1
InChIInChI=1S/C21H26N4O2S.HI/c26-28(27,23-19-10-5-2-6-11-19)20-12-7-14-24(17-20)21-22-13-15-25(21)16-18-8-3-1-4-9-18;/h1-6,8-11,20,23H,7,12-17H2;1H
InChIKeyOGTVTMFKQKKECA-UHFFFAOYSA-N
MW526.44 g/mol
LogP3.38
Rot. Bonds5

About 1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide

1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide (PubChem CID 166350730) has the molecular formula C21H27IN4O2S and a molecular weight of 526.44 g/mol. Its IUPAC name is 1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide.

Molecular Properties

Compound Name1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide
PubChem CID166350730
Molecular FormulaC21H27IN4O2S
Molecular Weight526.44 g/mol
Exact Mass526.09
IUPAC Name1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide
SMILESI.O=S(=O)(Nc1ccccc1)C1CCCN(C2=NCCN2Cc2ccccc2)C1
InChIInChI=1S/C21H26N4O2S.HI/c26-28(27,23-19-10-5-2-6-11-19)20-12-7-14-24(17-20)21-22-13-15-25(21)16-18-8-3-1-4-9-18;/h1-6,8-11,20,23H,7,12-17H2;1H
InChIKeyOGTVTMFKQKKECA-UHFFFAOYSA-N
XLogP3.38
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide
CID 166350932
2-azabicyclo[2.2.1]heptan-2-yl-[1-(1-benzyl-4,5-dihydroimidazol-2-yl)piperidin-3-yl]methanone;hydroiodide
CID 166350868
1-[3-(hydroxymethyl)-4-pyridinyl]-N-phenylpiperidine-3-sulfonamide
CID 167965129
(3R)-1-N,1-N-dimethyl-3-N-phenylpiperidine-1,3-disulfonamide
CID 97348271
3-[[(3S)-3-(phenylsulfamoyl)piperidin-1-yl]methyl]benzoic acid
CID 164638668
8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide
CID 166351025
N-phenyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 75476115
(3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide
CID 97348403
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide
CID 97348370
N-(1-benzyl-5,6-dihydro-4H-pyrimidin-2-yl)-4-chlorobenzenesulfonamide
CID 102506802
N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide
CID 75476106
2-(1-benzyl-4,5-dihydroimidazol-2-yl)benzenesulfonic acid
CID 11445528

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide?
The IUPAC name of 1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide (CID 166350730) is 1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide.
What is the SMILES notation for 1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide?
The canonical SMILES for 1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide is I.O=S(=O)(Nc1ccccc1)C1CCCN(C2=NCCN2Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide?
The InChIKey is OGTVTMFKQKKECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S.HI/c26-28(27,23-19-10-5-2-6-11-19)20-12-7-14-24(17-20)21-22-13-15-25(21)16-18-8-3-1-4-9-18;/h1-6,8-11,20,23H,7,12-17H2;1H.
What are the key properties of 1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide?
1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide has a molecular weight of 526.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide is sourced from PubChem (CID 166350730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).