3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione

C18H26N4O2 — CID 13320378

IUPAC3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
SMILESCc1ccc(N2CCN(CCCCN3C(=O)CNC3=O)CC2)cc1
InChIInChI=1S/C18H26N4O2/c1-15-4-6-16(7-5-15)21-12-10-20(11-13-21)8-2-3-9-22-17(23)14-19-18(22)24/h4-7H,2-3,8-14H2,1H3,(H,19,24)
InChIKeyPCFNQNZCALQYLI-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.45
Rot. Bonds6

About 3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione

3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione (PubChem CID 13320378) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
PubChem CID13320378
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
SMILESCc1ccc(N2CCN(CCCCN3C(=O)CNC3=O)CC2)cc1
InChIInChI=1S/C18H26N4O2/c1-15-4-6-16(7-5-15)21-12-10-20(11-13-21)8-2-3-9-22-17(23)14-19-18(22)24/h4-7H,2-3,8-14H2,1H3,(H,19,24)
InChIKeyPCFNQNZCALQYLI-UHFFFAOYSA-N
XLogP1.45
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 67373850
3-[6-[4-(2-propylsulfanylphenyl)piperazin-1-yl]hexyl]imidazolidine-2,4-dione
CID 97356524
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
5-[4-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one
CID 15104502
2-amino-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668367
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(4-methylphenyl)oxamide
CID 42390454
2-amino-3-[3-[4-(4-methylphenyl)piperazin-1-yl]propylamino]naphthalene-1,4-dione
CID 143764711
2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
3-[3-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 55861423
6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride
CID 3053458
4-(4-hexylpiperazin-1-yl)benzoic acid
CID 167523734
3-[3-(4-methyl-2-oxo-1-pyridinyl)propyl]imidazolidine-2,4-dione
CID 132970535

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione (CID 13320378) is 3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione is Cc1ccc(N2CCN(CCCCN3C(=O)CNC3=O)CC2)cc1.
What is the InChIKey of 3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione?
The InChIKey is PCFNQNZCALQYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-15-4-6-16(7-5-15)21-12-10-20(11-13-21)8-2-3-9-22-17(23)14-19-18(22)24/h4-7H,2-3,8-14H2,1H3,(H,19,24).
What are the key properties of 3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione?
3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione has a molecular weight of 330.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 13320378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).