1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol

C23H26FN3O — CID 50948484

IUPAC1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol
SMILESCc1cc(F)cc(-c2c(-c3ccccc3)ncn2CCN2CCC(O)CC2)c1
InChIInChI=1S/C23H26FN3O/c1-17-13-19(15-20(24)14-17)23-22(18-5-3-2-4-6-18)25-16-27(23)12-11-26-9-7-21(28)8-10-26/h2-6,13-16,21,28H,7-12H2,1H3
InChIKeyHRHVUUKXVRDEQJ-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.12
Rot. Bonds5

About 1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol

1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol (PubChem CID 50948484) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol
PubChem CID50948484
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol
SMILESCc1cc(F)cc(-c2c(-c3ccccc3)ncn2CCN2CCC(O)CC2)c1
InChIInChI=1S/C23H26FN3O/c1-17-13-19(15-20(24)14-17)23-22(18-5-3-2-4-6-18)25-16-27(23)12-11-26-9-7-21(28)8-10-26/h2-6,13-16,21,28H,7-12H2,1H3
InChIKeyHRHVUUKXVRDEQJ-UHFFFAOYSA-N
XLogP4.12
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol (CID 50948484) is 1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol is Cc1cc(F)cc(-c2c(-c3ccccc3)ncn2CCN2CCC(O)CC2)c1.
What is the InChIKey of 1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol?
The InChIKey is HRHVUUKXVRDEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-17-13-19(15-20(24)14-17)23-22(18-5-3-2-4-6-18)25-16-27(23)12-11-26-9-7-21(28)8-10-26/h2-6,13-16,21,28H,7-12H2,1H3.
What are the key properties of 1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol?
1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol has a molecular weight of 379.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl]piperidin-4-ol is sourced from PubChem (CID 50948484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).