4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one

C27H27FN4O — CID 46338809

IUPAC4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one
SMILESCc1ccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H27FN4O/c1-20-7-11-24(12-8-20)32-26(33)25(19-21-5-3-2-4-6-21)29-27(32)31-17-15-30(16-18-31)23-13-9-22(28)10-14-23/h2-14,25H,15-19H2,1H3
InChIKeyAXMXUBXGTKXBTM-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.27
Rot. Bonds4

About 4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one

4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one (PubChem CID 46338809) has the molecular formula C27H27FN4O and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one
PubChem CID46338809
Molecular FormulaC27H27FN4O
Molecular Weight442.54 g/mol
Exact Mass442.22
IUPAC Name4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one
SMILESCc1ccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H27FN4O/c1-20-7-11-24(12-8-20)32-26(33)25(19-21-5-3-2-4-6-21)29-27(32)31-17-15-30(16-18-31)23-13-9-22(28)10-14-23/h2-14,25H,15-19H2,1H3
InChIKeyAXMXUBXGTKXBTM-UHFFFAOYSA-N
XLogP4.27
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-2-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one
CID 46338820
4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one
CID 46338917
4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one
CID 46338907
4-benzyl-1-(3-ethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4H-imidazol-5-one
CID 46338950
(3R)-3-benzyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 6935576
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
ethyl 1-[4-benzyl-1-(2-methoxyphenyl)-5-oxo-4H-imidazol-2-yl]piperidine-4-carboxylate
CID 46338970
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 4753361
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one
CID 46338681
4-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)benzenesulfonamide
CID 23998649

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one?
The IUPAC name of 4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one (CID 46338809) is 4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one.
What is the SMILES notation for 4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one?
The canonical SMILES for 4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one is Cc1ccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one?
The InChIKey is AXMXUBXGTKXBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O/c1-20-7-11-24(12-8-20)32-26(33)25(19-21-5-3-2-4-6-21)29-27(32)31-17-15-30(16-18-31)23-13-9-22(28)10-14-23/h2-14,25H,15-19H2,1H3.
What are the key properties of 4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one?
4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one has a molecular weight of 442.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one is sourced from PubChem (CID 46338809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).