2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

C28H28FN5O3 — CID 71599085

IUPAC2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4cc(OC)ccn4)CC3)n2)c1
InChIInChI=1S/C28H28FN5O3/c1-36-23-5-3-4-20(16-23)25-19-34(22-8-6-21(29)7-9-22)27(31-25)18-28(35)33-14-12-32(13-15-33)26-17-24(37-2)10-11-30-26/h3-11,16-17,19H,12-15,18H2,1-2H3
InChIKeyUENZOCAVMMOAHB-UHFFFAOYSA-N
MW501.56 g/mol
LogP3.98
Rot. Bonds7

About 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 71599085) has the molecular formula C28H28FN5O3 and a molecular weight of 501.56 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID71599085
Molecular FormulaC28H28FN5O3
Molecular Weight501.56 g/mol
Exact Mass501.22
IUPAC Name2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4cc(OC)ccn4)CC3)n2)c1
InChIInChI=1S/C28H28FN5O3/c1-36-23-5-3-4-20(16-23)25-19-34(22-8-6-21(29)7-9-22)27(31-25)18-28(35)33-14-12-32(13-15-33)26-17-24(37-2)10-11-30-26/h3-11,16-17,19H,12-15,18H2,1-2H3
InChIKeyUENZOCAVMMOAHB-UHFFFAOYSA-N
XLogP3.98
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (CID 71599085) is 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is COc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4cc(OC)ccn4)CC3)n2)c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is UENZOCAVMMOAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O3/c1-36-23-5-3-4-20(16-23)25-19-34(22-8-6-21(29)7-9-22)27(31-25)18-28(35)33-14-12-32(13-15-33)26-17-24(37-2)10-11-30-26/h3-11,16-17,19H,12-15,18H2,1-2H3.
What are the key properties of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 501.56 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71599085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).