4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol

C20H21FN4O — CID 10338084

IUPAC4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CC1
InChIInChI=1S/C20H21FN4O/c1-25-12-8-20(26,9-13-25)19-23-17(14-2-4-16(21)5-3-14)18(24-19)15-6-10-22-11-7-15/h2-7,10-11,26H,8-9,12-13H2,1H3,(H,23,24)
InChIKeySIQUUVQVHIMYKO-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.19
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol

4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol (PubChem CID 10338084) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol
PubChem CID10338084
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CC1
InChIInChI=1S/C20H21FN4O/c1-25-12-8-20(26,9-13-25)19-23-17(14-2-4-16(21)5-3-14)18(24-19)15-6-10-22-11-7-15/h2-7,10-11,26H,8-9,12-13H2,1H3,(H,23,24)
InChIKeySIQUUVQVHIMYKO-UHFFFAOYSA-N
XLogP3.19
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol (CID 10338084) is 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol is CN1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol?
The InChIKey is SIQUUVQVHIMYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-25-12-8-20(26,9-13-25)19-23-17(14-2-4-16(21)5-3-14)18(24-19)15-6-10-22-11-7-15/h2-7,10-11,26H,8-9,12-13H2,1H3,(H,23,24).
What are the key properties of 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol?
4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol has a molecular weight of 352.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 10338084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).