2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C27H26FN5O2 — CID 71599086

IUPAC2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ccccn4)CC3)n2)c1
InChIInChI=1S/C27H26FN5O2/c1-35-23-6-4-5-20(17-23)24-19-33(22-10-8-21(28)9-11-22)26(30-24)18-27(34)32-15-13-31(14-16-32)25-7-2-3-12-29-25/h2-12,17,19H,13-16,18H2,1H3
InChIKeyZVEWQXDYIPZQHB-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.97
Rot. Bonds6

About 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71599086) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID71599086
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ccccn4)CC3)n2)c1
InChIInChI=1S/C27H26FN5O2/c1-35-23-6-4-5-20(17-23)24-19-33(22-10-8-21(28)9-11-22)26(30-24)18-27(34)32-15-13-31(14-16-32)25-7-2-3-12-29-25/h2-12,17,19H,13-16,18H2,1H3
InChIKeyZVEWQXDYIPZQHB-UHFFFAOYSA-N
XLogP3.97
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 71599086) is 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is COc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCN(c4ccccn4)CC3)n2)c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is ZVEWQXDYIPZQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-35-23-6-4-5-20(17-23)24-19-33(22-10-8-21(28)9-11-22)26(30-24)18-27(34)32-15-13-31(14-16-32)25-7-2-3-12-29-25/h2-12,17,19H,13-16,18H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 471.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71599086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).