4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one

C28H30N4O — CID 46338907

IUPAC4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one
SMILESCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C28H30N4O/c1-22-9-8-14-25(19-22)32-27(33)26(20-23-10-4-2-5-11-23)29-28(32)31-17-15-30(16-18-31)21-24-12-6-3-7-13-24/h2-14,19,26H,15-18,20-21H2,1H3
InChIKeyAGDRWXBFVQITCE-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.13
Rot. Bonds5

About 4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one

4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one (PubChem CID 46338907) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is 4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one.

Molecular Properties

Compound Name4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one
PubChem CID46338907
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC Name4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one
SMILESCc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C28H30N4O/c1-22-9-8-14-25(19-22)32-27(33)26(20-23-10-4-2-5-11-23)29-28(32)31-17-15-30(16-18-31)21-24-12-6-3-7-13-24/h2-14,19,26H,15-18,20-21H2,1H3
InChIKeyAGDRWXBFVQITCE-UHFFFAOYSA-N
XLogP4.13
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-1-(3-methylphenyl)-2-morpholin-4-yl-4H-imidazol-5-one
CID 46338917
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-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylphenyl)-4H-imidazol-5-one
CID 46338809
(3R)-3-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
CID 1115575
4-benzyl-2-[butyl(ethyl)amino]-1-(3-methylphenyl)-4H-imidazol-5-one
CID 46338906
(3S)-1-(3-chlorophenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 9357816
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769
(5R)-5-benzyl-3-(3-methylphenyl)-1-(morpholin-4-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 95795943
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 42311026
5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4130906
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9348757
6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3978494

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one?
The IUPAC name of 4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one (CID 46338907) is 4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one.
What is the SMILES notation for 4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one?
The canonical SMILES for 4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one is Cc1cccc(N2C(=O)C(Cc3ccccc3)N=C2N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one?
The InChIKey is AGDRWXBFVQITCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c1-22-9-8-14-25(19-22)32-27(33)26(20-23-10-4-2-5-11-23)29-28(32)31-17-15-30(16-18-31)21-24-12-6-3-7-13-24/h2-14,19,26H,15-18,20-21H2,1H3.
What are the key properties of 4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one?
4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one has a molecular weight of 438.58 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-benzylpiperazin-1-yl)-1-(3-methylphenyl)-4H-imidazol-5-one is sourced from PubChem (CID 46338907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).