4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine

C23H28N4O — CID 50956281

IUPAC4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine
SMILESCN1CCC(OCCCn2cnc(-c3ccccc3)c2-c2ccncc2)CC1
InChIInChI=1S/C23H28N4O/c1-26-15-10-21(11-16-26)28-17-5-14-27-18-25-22(19-6-3-2-4-7-19)23(27)20-8-12-24-13-9-20/h2-4,6-9,12-13,18,21H,5,10-11,14-17H2,1H3
InChIKeyWTLCEHXOBACJGG-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.11
Rot. Bonds7

About 4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine

4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine (PubChem CID 50956281) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine
PubChem CID50956281
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine
SMILESCN1CCC(OCCCn2cnc(-c3ccccc3)c2-c2ccncc2)CC1
InChIInChI=1S/C23H28N4O/c1-26-15-10-21(11-16-26)28-17-5-14-27-18-25-22(19-6-3-2-4-7-19)23(27)20-8-12-24-13-9-20/h2-4,6-9,12-13,18,21H,5,10-11,14-17H2,1H3
InChIKeyWTLCEHXOBACJGG-UHFFFAOYSA-N
XLogP4.11
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

SB-220025
CID 5164
4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
CID 3008319
SB 239063
CID 5166
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
VK-19911
CID 9797240
SB-242235
CID 9863367
NS-2710
CID 9863520
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
SB-216995
CID 5171
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340
Imidazopyridine 10b
CID 5329341
2,4-Disubstituted Pyrimidine 4e
CID 5329434

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine?
The IUPAC name of 4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine (CID 50956281) is 4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine?
The canonical SMILES for 4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine is CN1CCC(OCCCn2cnc(-c3ccccc3)c2-c2ccncc2)CC1.
What is the InChIKey of 4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine?
The InChIKey is WTLCEHXOBACJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-26-15-10-21(11-16-26)28-17-5-14-27-18-25-22(19-6-3-2-4-7-19)23(27)20-8-12-24-13-9-20/h2-4,6-9,12-13,18,21H,5,10-11,14-17H2,1H3.
What are the key properties of 4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine?
4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine has a molecular weight of 376.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(1-methylpiperidin-4-yl)oxypropyl]-5-phenylimidazol-4-yl]pyridine is sourced from PubChem (CID 50956281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).