(3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol

C23H25F2N3O — CID 95144428

IUPAC(3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN(CCCn2cnc(-c3ccccc3)c2-c2cc(F)cc(F)c2)C1
InChIInChI=1S/C23H25F2N3O/c24-19-12-18(13-20(25)14-19)23-22(17-6-2-1-3-7-17)26-16-28(23)11-5-10-27-9-4-8-21(29)15-27/h1-3,6-7,12-14,16,21,29H,4-5,8-11,15H2/t21-/m0/s1
InChIKeyJOZPMVLHYGCRFN-NRFANRHFSA-N
MW397.47 g/mol
LogP4.34
Rot. Bonds6

About (3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol

(3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol (PubChem CID 95144428) has the molecular formula C23H25F2N3O and a molecular weight of 397.47 g/mol. Its IUPAC name is (3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol
PubChem CID95144428
Molecular FormulaC23H25F2N3O
Molecular Weight397.47 g/mol
Exact Mass397.20
IUPAC Name(3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN(CCCn2cnc(-c3ccccc3)c2-c2cc(F)cc(F)c2)C1
InChIInChI=1S/C23H25F2N3O/c24-19-12-18(13-20(25)14-19)23-22(17-6-2-1-3-7-17)26-16-28(23)11-5-10-27-9-4-8-21(29)15-27/h1-3,6-7,12-14,16,21,29H,4-5,8-11,15H2/t21-/m0/s1
InChIKeyJOZPMVLHYGCRFN-NRFANRHFSA-N
XLogP4.34
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide
CID 95119867
(3R)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol
CID 95724595
(3S)-1-[3-[2-(1-benzofuran-2-yl)imidazol-1-yl]propyl]piperidin-3-ol
CID 95724594
2-[(3S)-3-[[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]methyl]piperidin-1-yl]ethanol
CID 95123757
1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide
CID 50960859
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
4,5-diphenyl-1-propylimidazole
CID 14950648
(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 95876935
3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol
CID 95123346
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
CID 10133391

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol (CID 95144428) is (3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol is O[C@H]1CCCN(CCCn2cnc(-c3ccccc3)c2-c2cc(F)cc(F)c2)C1.
What is the InChIKey of (3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol?
The InChIKey is JOZPMVLHYGCRFN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25F2N3O/c24-19-12-18(13-20(25)14-19)23-22(17-6-2-1-3-7-17)26-16-28(23)11-5-10-27-9-4-8-21(29)15-27/h1-3,6-7,12-14,16,21,29H,4-5,8-11,15H2/t21-/m0/s1.
What are the key properties of (3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol?
(3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol has a molecular weight of 397.47 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[5-(3,5-difluorophenyl)-4-phenylimidazol-1-yl]propyl]piperidin-3-ol is sourced from PubChem (CID 95144428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).