3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

C26H26N2O3 — CID 42971848

IUPAC3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C26H26N2O3/c1-25(2,3)19-14-12-18(13-15-19)22(29)16-28-23(30)26(4,27-24(28)31)21-11-7-9-17-8-5-6-10-20(17)21/h5-15H,16H2,1-4H3,(H,27,31)
InChIKeyRPDMQGJYRNOKIW-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.79
Rot. Bonds4

About 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 42971848) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID42971848
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)cc1
InChIInChI=1S/C26H26N2O3/c1-25(2,3)19-14-12-18(13-15-19)22(29)16-28-23(30)26(4,27-24(28)31)21-11-7-9-17-8-5-6-10-20(17)21/h5-15H,16H2,1-4H3,(H,27,31)
InChIKeyRPDMQGJYRNOKIW-UHFFFAOYSA-N
XLogP4.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
CID 7179916
(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 8675905
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 7242837
5-methyl-3-(2-methylprop-2-enyl)-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 17405528
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-(3-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 55752375
(5S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7178166
(5R)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7242817
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704464
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 4882182
N-butan-2-yl-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4790385

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 42971848) is 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is CC(C)(C)c1ccc(C(=O)CN2C(=O)NC(C)(c3cccc4ccccc34)C2=O)cc1.
What is the InChIKey of 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is RPDMQGJYRNOKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-25(2,3)19-14-12-18(13-15-19)22(29)16-28-23(30)26(4,27-24(28)31)21-11-7-9-17-8-5-6-10-20(17)21/h5-15H,16H2,1-4H3,(H,27,31).
What are the key properties of 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 414.51 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 42971848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).