5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione

C26H34N4O3 — CID 55351953

IUPAC5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(N2CCN(CN3C(=O)NC(C)(c4ccc(C(C)(C)C)cc4)C3=O)CC2)cc1
InChIInChI=1S/C26H34N4O3/c1-25(2,3)19-6-8-20(9-7-19)26(4)23(31)30(24(32)27-26)18-28-14-16-29(17-15-28)21-10-12-22(33-5)13-11-21/h6-13H,14-18H2,1-5H3,(H,27,32)
InChIKeyGMELBTIPYIUIEI-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.54
Rot. Bonds5

About 5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione

5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 55351953) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID55351953
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(N2CCN(CN3C(=O)NC(C)(c4ccc(C(C)(C)C)cc4)C3=O)CC2)cc1
InChIInChI=1S/C26H34N4O3/c1-25(2,3)19-6-8-20(9-7-19)26(4)23(31)30(24(32)27-26)18-28-14-16-29(17-15-28)21-10-12-22(33-5)13-11-21/h6-13H,14-18H2,1-5H3,(H,27,32)
InChIKeyGMELBTIPYIUIEI-UHFFFAOYSA-N
XLogP3.54
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2573818
(5R)-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455632
5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 134008894
5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 51166924
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 4264243
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 92786687
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 55578979
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 4882608
3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 9403675
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
CID 82096824

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 55351953) is 5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione is COc1ccc(N2CCN(CN3C(=O)NC(C)(c4ccc(C(C)(C)C)cc4)C3=O)CC2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is GMELBTIPYIUIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-25(2,3)19-6-8-20(9-7-19)26(4)23(31)30(24(32)27-26)18-28-14-16-29(17-15-28)21-10-12-22(33-5)13-11-21/h6-13H,14-18H2,1-5H3,(H,27,32).
What are the key properties of 5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione?
5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 450.58 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 55351953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).