1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one

C22H23ClN4O — CID 118908260

IUPAC1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one
SMILESCc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1
InChIInChI=1S/C22H23ClN4O/c1-17-5-7-18(8-6-17)13-26-16-24-12-21(26)14-25-9-10-27(22(28)15-25)20-4-2-3-19(23)11-20/h2-8,11-12,16H,9-10,13-15H2,1H3
InChIKeySCWXKQFETHAAHK-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.74
Rot. Bonds5

About 1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one

1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one (PubChem CID 118908260) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one
PubChem CID118908260
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one
SMILESCc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1
InChIInChI=1S/C22H23ClN4O/c1-17-5-7-18(8-6-17)13-26-16-24-12-21(26)14-25-9-10-27(22(28)15-25)20-4-2-3-19(23)11-20/h2-8,11-12,16H,9-10,13-15H2,1H3
InChIKeySCWXKQFETHAAHK-UHFFFAOYSA-N
XLogP3.74
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one (CID 118908260) is 1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one is Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one?
The InChIKey is SCWXKQFETHAAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-17-5-7-18(8-6-17)13-26-16-24-12-21(26)14-25-9-10-27(22(28)15-25)20-4-2-3-19(23)11-20/h2-8,11-12,16H,9-10,13-15H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one?
1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one has a molecular weight of 394.91 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 118908260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).