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

C27H25F2N5O — CID 71585302

IUPAC2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(-c3ccc(F)cc3)n2)ccc1F
InChIInChI=1S/C27H25F2N5O/c1-19-16-21(7-10-23(19)29)24-17-34(27(31-24)20-5-8-22(28)9-6-20)18-26(35)33-14-12-32(13-15-33)25-4-2-3-11-30-25/h2-11,16-17H,12-15,18H2,1H3
InChIKeyCPBVVKIMYHVWGA-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.55
Rot. Bonds5

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

2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71585302) has the molecular formula C27H25F2N5O and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID71585302
Molecular FormulaC27H25F2N5O
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(-c3ccc(F)cc3)n2)ccc1F
InChIInChI=1S/C27H25F2N5O/c1-19-16-21(7-10-23(19)29)24-17-34(27(31-24)20-5-8-22(28)9-6-20)18-26(35)33-14-12-32(13-15-33)25-4-2-3-11-30-25/h2-11,16-17H,12-15,18H2,1H3
InChIKeyCPBVVKIMYHVWGA-UHFFFAOYSA-N
XLogP4.55
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
CID 3008319
L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
2-Amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8H)-yl)ethanone
CID 49856296
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
1-benzyl-3-propyl-1H,3H-pyrido(2,1-f)purine-2,4-dione
CID 10359522
Imidazopyridine 12a
CID 5329347
Imidazopyridine 12b
CID 5329348
Imidazopyridine 12c
CID 5329349
Imidazopyridine 18a
CID 5329351
Imidazopyridine 18d
CID 5329354
2,4-Disubstituted Pyrimidine 3d
CID 5329429

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 71585302) is 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is Cc1cc(-c2cn(CC(=O)N3CCN(c4ccccn4)CC3)c(-c3ccc(F)cc3)n2)ccc1F.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is CPBVVKIMYHVWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O/c1-19-16-21(7-10-23(19)29)24-17-34(27(31-24)20-5-8-22(28)9-6-20)18-26(35)33-14-12-32(13-15-33)25-4-2-3-11-30-25/h2-11,16-17H,12-15,18H2,1H3.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 473.53 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71585302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).