3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one

C17H26N2O — CID 83250844

IUPAC3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2)C(=O)N1C(C)C(C)C
InChIInChI=1S/C17H26N2O/c1-5-9-15-18-16(14-10-7-6-8-11-14)17(20)19(15)13(4)12(2)3/h6-8,10-13,15-16,18H,5,9H2,1-4H3
InChIKeyGAMMHBIZRZQGFS-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.33
Rot. Bonds5

About 3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one

3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one (PubChem CID 83250844) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one
PubChem CID83250844
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2)C(=O)N1C(C)C(C)C
InChIInChI=1S/C17H26N2O/c1-5-9-15-18-16(14-10-7-6-8-11-14)17(20)19(15)13(4)12(2)3/h6-8,10-13,15-16,18H,5,9H2,1-4H3
InChIKeyGAMMHBIZRZQGFS-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one?
The IUPAC name of 3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one (CID 83250844) is 3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one is CCCC1NC(c2ccccc2)C(=O)N1C(C)C(C)C.
What is the InChIKey of 3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one?
The InChIKey is GAMMHBIZRZQGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-9-15-18-16(14-10-7-6-8-11-14)17(20)19(15)13(4)12(2)3/h6-8,10-13,15-16,18H,5,9H2,1-4H3.
What are the key properties of 3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one?
3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-yl)-5-phenyl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83250844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).