1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol

C23H28N4O2 — CID 50976899

IUPAC1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol
SMILESCCOc1ccc(-c2c(-c3ccccc3)ncn2CCN2CCC(O)CC2)cn1
InChIInChI=1S/C23H28N4O2/c1-2-29-21-9-8-19(16-24-21)23-22(18-6-4-3-5-7-18)25-17-27(23)15-14-26-12-10-20(28)11-13-26/h3-9,16-17,20,28H,2,10-15H2,1H3
InChIKeyFPDLFFVQOFNQAS-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.47
Rot. Bonds7

About 1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol

1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol (PubChem CID 50976899) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol
PubChem CID50976899
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol
SMILESCCOc1ccc(-c2c(-c3ccccc3)ncn2CCN2CCC(O)CC2)cn1
InChIInChI=1S/C23H28N4O2/c1-2-29-21-9-8-19(16-24-21)23-22(18-6-4-3-5-7-18)25-17-27(23)15-14-26-12-10-20(28)11-13-26/h3-9,16-17,20,28H,2,10-15H2,1H3
InChIKeyFPDLFFVQOFNQAS-UHFFFAOYSA-N
XLogP3.47
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol (CID 50976899) is 1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol is CCOc1ccc(-c2c(-c3ccccc3)ncn2CCN2CCC(O)CC2)cn1.
What is the InChIKey of 1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol?
The InChIKey is FPDLFFVQOFNQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-29-21-9-8-19(16-24-21)23-22(18-6-4-3-5-7-18)25-17-27(23)15-14-26-12-10-20(28)11-13-26/h3-9,16-17,20,28H,2,10-15H2,1H3.
What are the key properties of 1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol?
1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol has a molecular weight of 392.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(6-ethoxy-3-pyridinyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol is sourced from PubChem (CID 50976899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).