1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione

C15H20N4O2 — CID 91202663

IUPAC1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCN1CCN(c2ccc(CN3CC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C15H20N4O2/c1-17-6-8-18(9-7-17)13-4-2-12(3-5-13)10-19-11-14(20)16-15(19)21/h2-5H,6-11H2,1H3,(H,16,20,21)
InChIKeyOFHPTLNBANSIHB-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.49
Rot. Bonds3

About 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione

1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 91202663) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione
PubChem CID91202663
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione
SMILESCN1CCN(c2ccc(CN3CC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C15H20N4O2/c1-17-6-8-18(9-7-17)13-4-2-12(3-5-13)10-19-11-14(20)16-15(19)21/h2-5H,6-11H2,1H3,(H,16,20,21)
InChIKeyOFHPTLNBANSIHB-UHFFFAOYSA-N
XLogP0.49
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[(4-phenylphenyl)methyl]imidazolidine-2,4-dione
CID 57470956
(5R)-3-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-phenyl-1,3-oxazolidin-2-one
CID 57473700
1-[(6-chloro-3-pyridinyl)methyl]imidazolidine-2,4-dione
CID 122226815
1-[4-(bromomethyl)phenyl]-4-methylpiperazine
CID 106548265
4-hydroxy-3-methyl-1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazol-2-one
CID 91258588
2-[4-(4-methylpiperazin-1-yl)phenyl]acetic acid
CID 28807075
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidin-4-ol
CID 154724497
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 82538094
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280408
1-[(4-ethynyl-3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 164857588
[4-(4-methylpiperazin-1-yl)phenyl]methylhydrazine
CID 126609483

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione (CID 91202663) is 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione is CN1CCN(c2ccc(CN3CC(=O)NC3=O)cc2)CC1.
What is the InChIKey of 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is OFHPTLNBANSIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-17-6-8-18(9-7-17)13-4-2-12(3-5-13)10-19-11-14(20)16-15(19)21/h2-5H,6-11H2,1H3,(H,16,20,21).
What are the key properties of 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione?
1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91202663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).