2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one

C23H28N4O — CID 46338681

IUPAC2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one
SMILESCc1ccc(N2C(=O)C(C)N=C2N2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C23H28N4O/c1-16-6-9-20(10-7-16)27-22(28)19(4)24-23(27)26-13-11-25(12-14-26)21-15-17(2)5-8-18(21)3/h5-10,15,19H,11-14H2,1-4H3
InChIKeyDNUOSEWPPHJHFU-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.53
Rot. Bonds2

About 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one

2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one (PubChem CID 46338681) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one
PubChem CID46338681
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one
SMILESCc1ccc(N2C(=O)C(C)N=C2N2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C23H28N4O/c1-16-6-9-20(10-7-16)27-22(28)19(4)24-23(27)26-13-11-25(12-14-26)21-15-17(2)5-8-18(21)3/h5-10,15,19H,11-14H2,1-4H3
InChIKeyDNUOSEWPPHJHFU-UHFFFAOYSA-N
XLogP3.53
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one (CID 46338681) is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one is Cc1ccc(N2C(=O)C(C)N=C2N2CCN(c3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one?
The InChIKey is DNUOSEWPPHJHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16-6-9-20(10-7-16)27-22(28)19(4)24-23(27)26-13-11-25(12-14-26)21-15-17(2)5-8-18(21)3/h5-10,15,19H,11-14H2,1-4H3.
What are the key properties of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one?
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one has a molecular weight of 376.50 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-methyl-1-(4-methylphenyl)-4H-imidazol-5-one is sourced from PubChem (CID 46338681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).