2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

C28H28FN5O2 — CID 71586583

IUPAC2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1ccnc(N2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)CC2)c1
InChIInChI=1S/C28H28FN5O2/c1-20-16-22(8-9-24(20)29)25-18-34(28(31-25)21-6-4-3-5-7-21)19-27(35)33-14-12-32(13-15-33)26-17-23(36-2)10-11-30-26/h3-11,16-18H,12-15,19H2,1-2H3
InChIKeyUSUFLSWNPAKSOX-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.42
Rot. Bonds6

About 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 71586583) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID71586583
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1ccnc(N2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)CC2)c1
InChIInChI=1S/C28H28FN5O2/c1-20-16-22(8-9-24(20)29)25-18-34(28(31-25)21-6-4-3-5-7-21)19-27(35)33-14-12-32(13-15-33)26-17-23(36-2)10-11-30-26/h3-11,16-18H,12-15,19H2,1-2H3
InChIKeyUSUFLSWNPAKSOX-UHFFFAOYSA-N
XLogP4.42
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

3-(Cyclopropylmethyl)-8-methoxy-1-[(4-methylphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 24878975
1-Benzyl-3-(cyclopropylmethyl)-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137639736
3-(Cyclopropylmethyl)-1-[(4-ethylphenyl)methyl]-8-methoxypurino[7,8-a]pyridine-2,4-dione
CID 137644039
1-Benzyl-8-methoxy-3-propylpurino[7,8-a]pyridine-2,4-dione
CID 11035880
1-Benzyl-8-methoxy-1h,3h-pyrido[2,1-f]purine-2,4-dione
CID 11427243
2-[4-(4-Fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71585302
2-[4-(3-Methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71585509
2-[4-(4-Fluoro-3,5-dimethylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71585719
2-[4-(4-Fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 71586584
2-[4-(4-Fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71586682
2-[4-(4-Fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 71586683
2-[4-(4-Fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone
CID 71586684

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (CID 71586583) is 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is COc1ccnc(N2CCN(C(=O)Cn3cc(-c4ccc(F)c(C)c4)nc3-c3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is USUFLSWNPAKSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-20-16-22(8-9-24(20)29)25-18-34(28(31-25)21-6-4-3-5-7-21)19-27(35)33-14-12-32(13-15-33)26-17-23(36-2)10-11-30-26/h3-11,16-18H,12-15,19H2,1-2H3.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 485.56 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71586583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).