3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one

C25H34N2O2 — CID 173383227

IUPAC3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one
SMILESCC(C)(C)C(Cc1ccccc1)C(O)C1NC(C)(C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C25H34N2O2/c1-24(2,3)20(16-18-12-8-6-9-13-18)22(28)21-23(29)27(25(4,5)26-21)17-19-14-10-7-11-15-19/h6-15,20-22,26,28H,16-17H2,1-5H3
InChIKeyIXYIXMBNAQTGES-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.99
Rot. Bonds6

About 3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one

3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one (PubChem CID 173383227) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one
PubChem CID173383227
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one
SMILESCC(C)(C)C(Cc1ccccc1)C(O)C1NC(C)(C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C25H34N2O2/c1-24(2,3)20(16-18-12-8-6-9-13-18)22(28)21-23(29)27(25(4,5)26-21)17-19-14-10-7-11-15-19/h6-15,20-22,26,28H,16-17H2,1-5H3
InChIKeyIXYIXMBNAQTGES-UHFFFAOYSA-N
XLogP3.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one?
The IUPAC name of 3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one (CID 173383227) is 3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one.
What is the SMILES notation for 3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one?
The canonical SMILES for 3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one is CC(C)(C)C(Cc1ccccc1)C(O)C1NC(C)(C)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one?
The InChIKey is IXYIXMBNAQTGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-24(2,3)20(16-18-12-8-6-9-13-18)22(28)21-23(29)27(25(4,5)26-21)17-19-14-10-7-11-15-19/h6-15,20-22,26,28H,16-17H2,1-5H3.
What are the key properties of 3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one?
3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one has a molecular weight of 394.56 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2-benzyl-1-hydroxy-3,3-dimethylbutyl)-2,2-dimethylimidazolidin-4-one is sourced from PubChem (CID 173383227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).