5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one

C17H26N2O — CID 83242743

IUPAC5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(Cc2ccccc2)C(=O)N1CC(C)C
InChIInChI=1S/C17H26N2O/c1-4-8-16-18-15(11-14-9-6-5-7-10-14)17(20)19(16)12-13(2)3/h5-7,9-10,13,15-16,18H,4,8,11-12H2,1-3H3
InChIKeyYRPZKTCKMQUSKR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds6

About 5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one

5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one (PubChem CID 83242743) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one
PubChem CID83242743
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(Cc2ccccc2)C(=O)N1CC(C)C
InChIInChI=1S/C17H26N2O/c1-4-8-16-18-15(11-14-9-6-5-7-10-14)17(20)19(16)12-13(2)3/h5-7,9-10,13,15-16,18H,4,8,11-12H2,1-3H3
InChIKeyYRPZKTCKMQUSKR-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one?
The IUPAC name of 5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one (CID 83242743) is 5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one?
The canonical SMILES for 5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one is CCCC1NC(Cc2ccccc2)C(=O)N1CC(C)C.
What is the InChIKey of 5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one?
The InChIKey is YRPZKTCKMQUSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-8-16-18-15(11-14-9-6-5-7-10-14)17(20)19(16)12-13(2)3/h5-7,9-10,13,15-16,18H,4,8,11-12H2,1-3H3.
What are the key properties of 5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one?
5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-methylpropyl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 83242743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).