1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine

C26H32FN3O — CID 155550606

IUPAC1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2nc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)c2C)CC1
InChIInChI=1S/C26H32FN3O/c1-18(2)20-5-7-21(8-6-20)26-28-25(17-29-15-13-24(31-4)14-16-29)19(3)30(26)23-11-9-22(27)10-12-23/h5-12,18,24H,13-17H2,1-4H3
InChIKeyDWNYEBKEVPXDOL-UHFFFAOYSA-N
MW421.56 g/mol
LogP5.72
Rot. Bonds6

About 1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine

1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine (PubChem CID 155550606) has the molecular formula C26H32FN3O and a molecular weight of 421.56 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine
PubChem CID155550606
Molecular FormulaC26H32FN3O
Molecular Weight421.56 g/mol
Exact Mass421.25
IUPAC Name1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine
SMILESCOC1CCN(Cc2nc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)c2C)CC1
InChIInChI=1S/C26H32FN3O/c1-18(2)20-5-7-21(8-6-20)26-28-25(17-29-15-13-24(31-4)14-16-29)19(3)30(26)23-11-9-22(27)10-12-23/h5-12,18,24H,13-17H2,1-4H3
InChIKeyDWNYEBKEVPXDOL-UHFFFAOYSA-N
XLogP5.72
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine?
The IUPAC name of 1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine (CID 155550606) is 1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine is COC1CCN(Cc2nc(-c3ccc(C(C)C)cc3)n(-c3ccc(F)cc3)c2C)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine?
The InChIKey is DWNYEBKEVPXDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O/c1-18(2)20-5-7-21(8-6-20)26-28-25(17-29-15-13-24(31-4)14-16-29)19(3)30(26)23-11-9-22(27)10-12-23/h5-12,18,24H,13-17H2,1-4H3.
What are the key properties of 1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine?
1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine has a molecular weight of 421.56 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine is sourced from PubChem (CID 155550606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).