1-(4-{[3-(4-Tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl}pyridin-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea

HCID 67199352
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Basic information

Standard SMILES
CN1CCN(CCNC(=O)Nc2cc(CN3C(=O)N(c4ccc(C(C)(C)C)cc4)C(=O)C3(C)C)ccn2)CC1
InChIKey
QDEISEPMFABIFS-UHFFFAOYSA-N
Molecular formula
C29H41N7O3
Average molar mass
535.7 g/mol

Names & identifiers

Preferred name
1-(4-{[3-(4-Tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl}pyridin-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
IUPAC
1-[4-[[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]-2-pyridinyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea

Names & synonyms

SCHEMBL1882936QDEISEPMFABIFS-UHFFFAOYSA-N1-(4-{[3-(4-tert-butylphenyl)-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl}pyridin-2-yl)-3-[2-(4-methylpiperazin-1-yl)ethyl]urea

Database identifiers

PubChem CID
67199352

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
39

Related reactions

1 records
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Compound notes

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