5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione

C27H34N2O2 — CID 10159012

IUPAC5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCC1(C)CCC(C)(C)c2cc(C(C)(C)c3ccc(CC4NC(=O)NC4=O)cc3)ccc21
InChIInChI=1S/C27H34N2O2/c1-25(2)13-14-26(3,4)21-16-19(11-12-20(21)25)27(5,6)18-9-7-17(8-10-18)15-22-23(30)29-24(31)28-22/h7-12,16,22H,13-15H2,1-6H3,(H2,28,29,30,31)
InChIKeyQQJXNXOVRLERIP-UHFFFAOYSA-N
MW418.58 g/mol
LogP5.11
Rot. Bonds4

About 5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione

5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 10159012) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID10159012
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC Name5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione
SMILESCC1(C)CCC(C)(C)c2cc(C(C)(C)c3ccc(CC4NC(=O)NC4=O)cc3)ccc21
InChIInChI=1S/C27H34N2O2/c1-25(2)13-14-26(3,4)21-16-19(11-12-20(21)25)27(5,6)18-9-7-17(8-10-18)15-22-23(30)29-24(31)28-22/h7-12,16,22H,13-15H2,1-6H3,(H2,28,29,30,31)
InChIKeyQQJXNXOVRLERIP-UHFFFAOYSA-N
XLogP5.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione (CID 10159012) is 5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione is CC1(C)CCC(C)(C)c2cc(C(C)(C)c3ccc(CC4NC(=O)NC4=O)cc3)ccc21.
What is the InChIKey of 5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is QQJXNXOVRLERIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-25(2)13-14-26(3,4)21-16-19(11-12-20(21)25)27(5,6)18-9-7-17(8-10-18)15-22-23(30)29-24(31)28-22/h7-12,16,22H,13-15H2,1-6H3,(H2,28,29,30,31).
What are the key properties of 5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione?
5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 418.58 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10159012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).