5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one

C22H22N4O3 — CID 70729103

IUPAC5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one
SMILESCc1ccc(N2CC(Cc3ccccc3)N(C(=O)c3c[nH]c(=O)[nH]3)CC2=O)cc1
InChIInChI=1S/C22H22N4O3/c1-15-7-9-17(10-8-15)25-13-18(11-16-5-3-2-4-6-16)26(14-20(25)27)21(28)19-12-23-22(29)24-19/h2-10,12,18H,11,13-14H2,1H3,(H2,23,24,29)
InChIKeyKXCWORLOWYZKOR-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.11
Rot. Bonds4

About 5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one

5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one (PubChem CID 70729103) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one
PubChem CID70729103
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one
SMILESCc1ccc(N2CC(Cc3ccccc3)N(C(=O)c3c[nH]c(=O)[nH]3)CC2=O)cc1
InChIInChI=1S/C22H22N4O3/c1-15-7-9-17(10-8-15)25-13-18(11-16-5-3-2-4-6-16)26(14-20(25)27)21(28)19-12-23-22(29)24-19/h2-10,12,18H,11,13-14H2,1H3,(H2,23,24,29)
InChIKeyKXCWORLOWYZKOR-UHFFFAOYSA-N
XLogP2.11
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-1-(4-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 70749410
5-benzyl-4-(cyclopropanecarbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70728334
1-[2-methyl-4-(4-methylphenyl)-5-oxopiperazin-1-yl]-4-phenylbutane-1,2-dione
CID 70725997
4-[(5S)-5-benzyl-4-(cyclopropanecarbonyl)-2-oxopiperazin-1-yl]benzonitrile
CID 96576886
(5R)-4-(3-ethyl-1H-indole-2-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96571413
(5R)-5-benzyl-1-(3-methoxyphenyl)-4-(1-methylcyclopropanecarbonyl)piperazin-2-one
CID 96578517
(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 96577215
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
4-(2-aminoacetyl)-5-benzyl-1-(3-phenylphenyl)piperazin-2-one
CID 70738705
(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580506
(3S)-2-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 28790907
5-[(2S)-2-methyl-4-(4-methylphenyl)-5-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96576291

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one (CID 70729103) is 5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one is Cc1ccc(N2CC(Cc3ccccc3)N(C(=O)c3c[nH]c(=O)[nH]3)CC2=O)cc1.
What is the InChIKey of 5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one?
The InChIKey is KXCWORLOWYZKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-7-9-17(10-8-15)25-13-18(11-16-5-3-2-4-6-16)26(14-20(25)27)21(28)19-12-23-22(29)24-19/h2-10,12,18H,11,13-14H2,1H3,(H2,23,24,29).
What are the key properties of 5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one?
5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one has a molecular weight of 390.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(4-methylphenyl)-4-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 70729103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).