5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione

C24H29N3O2 — CID 51166924

IUPAC5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C2(C)NC(=O)N(CN3CCc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C24H29N3O2/c1-23(2,3)19-9-11-20(12-10-19)24(4)21(28)27(22(29)25-24)16-26-14-13-17-7-5-6-8-18(17)15-26/h5-12H,13-16H2,1-4H3,(H,25,29)
InChIKeyNAJOGCKDABRCQI-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.77
Rot. Bonds3

About 5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione

5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 51166924) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione
PubChem CID51166924
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione
SMILESCC(C)(C)c1ccc(C2(C)NC(=O)N(CN3CCc4ccccc4C3)C2=O)cc1
InChIInChI=1S/C24H29N3O2/c1-23(2,3)19-9-11-20(12-10-19)24(4)21(28)27(22(29)25-24)16-26-14-13-17-7-5-6-8-18(17)15-26/h5-12H,13-16H2,1-4H3,(H,25,29)
InChIKeyNAJOGCKDABRCQI-UHFFFAOYSA-N
XLogP3.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-(4-tert-butylphenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2083997
(5S)-5-(4-chlorophenyl)-3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methylimidazolidine-2,4-dione
CID 2470371
(5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 26032202
5-(4-tert-butylphenyl)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 55351953
(5R)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2581931
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
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
CID 82096824
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
CID 75858248
5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
CID 112774193
(5R)-3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 7595987

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione (CID 51166924) is 5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione is CC(C)(C)c1ccc(C2(C)NC(=O)N(CN3CCc4ccccc4C3)C2=O)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is NAJOGCKDABRCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-23(2,3)19-9-11-20(12-10-19)24(4)21(28)27(22(29)25-24)16-26-14-13-17-7-5-6-8-18(17)15-26/h5-12H,13-16H2,1-4H3,(H,25,29).
What are the key properties of 5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione?
5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 391.52 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51166924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).