1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine

C23H28N4O2S — CID 155092219

IUPAC1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine
SMILESO=S(O)NCc1cccc(C2CCN(Cc3cn(Cc4ccccc4)cn3)CC2)c1
InChIInChI=1S/C23H28N4O2S/c28-30(29)25-14-20-7-4-8-22(13-20)21-9-11-26(12-10-21)16-23-17-27(18-24-23)15-19-5-2-1-3-6-19/h1-8,13,17-18,21,25H,9-12,14-16H2,(H,28,29)
InChIKeySLXQSEYXFAWBKW-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.54
Rot. Bonds8

About 1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine

1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine (PubChem CID 155092219) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine.

Molecular Properties

Compound Name1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine
PubChem CID155092219
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC Name1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine
SMILESO=S(O)NCc1cccc(C2CCN(Cc3cn(Cc4ccccc4)cn3)CC2)c1
InChIInChI=1S/C23H28N4O2S/c28-30(29)25-14-20-7-4-8-22(13-20)21-9-11-26(12-10-21)16-23-17-27(18-24-23)15-19-5-2-1-3-6-19/h1-8,13,17-18,21,25H,9-12,14-16H2,(H,28,29)
InChIKeySLXQSEYXFAWBKW-UHFFFAOYSA-N
XLogP3.54
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine 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-[1-[4-[[4-[3-[(sulfinoamino)methyl]phenyl]piperidin-1-yl]methyl]triazol-1-yl]ethyl]pyridine
CID 155092253
3-[[4-[[4-[3-[(sulfinoamino)methyl]phenyl]piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
CID 155092217
3-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-4-yl]-5-[(sulfinoamino)methyl]pyridine
CID 155092225
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 119703068
1-[[1-(4,4-difluorocyclohexyl)triazol-4-yl]methyl]-4-[3-[(sulfinatoamino)methyl]phenyl]piperidine
CID 155092244
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
(1-benzylimidazol-4-yl)methanamine
CID 82281097
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
1-chloro-3-[(sulfinoamino)methyl]benzene
CID 23323237
4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]benzoic acid
CID 122033759
2-(1-benzylimidazol-4-yl)acetaldehyde
CID 83880657
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine?
The IUPAC name of 1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine (CID 155092219) is 1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine.
What is the SMILES notation for 1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine?
The canonical SMILES for 1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine is O=S(O)NCc1cccc(C2CCN(Cc3cn(Cc4ccccc4)cn3)CC2)c1.
What is the InChIKey of 1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine?
The InChIKey is SLXQSEYXFAWBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c28-30(29)25-14-20-7-4-8-22(13-20)21-9-11-26(12-10-21)16-23-17-27(18-24-23)15-19-5-2-1-3-6-19/h1-8,13,17-18,21,25H,9-12,14-16H2,(H,28,29).
What are the key properties of 1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine?
1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine has a molecular weight of 424.57 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-4-yl)methyl]-4-[3-[(sulfinoamino)methyl]phenyl]piperidine is sourced from PubChem (CID 155092219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).