(5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one

C16H24N2O — CID 171057688

IUPAC(5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one
SMILESCCCCN1C(=O)[C@@H](Cc2ccccc2)NC1(C)C
InChIInChI=1S/C16H24N2O/c1-4-5-11-18-15(19)14(17-16(18,2)3)12-13-9-7-6-8-10-13/h6-10,14,17H,4-5,11-12H2,1-3H3/t14-/m1/s1
InChIKeySBNLJBNCMSGZME-CQSZACIVSA-N
MW260.38 g/mol
LogP2.57
Rot. Bonds5

About (5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one

(5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one (PubChem CID 171057688) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one
PubChem CID171057688
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one
SMILESCCCCN1C(=O)[C@@H](Cc2ccccc2)NC1(C)C
InChIInChI=1S/C16H24N2O/c1-4-5-11-18-15(19)14(17-16(18,2)3)12-13-9-7-6-8-10-13/h6-10,14,17H,4-5,11-12H2,1-3H3/t14-/m1/s1
InChIKeySBNLJBNCMSGZME-CQSZACIVSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethotoin
CID 3292
Mephenytoin
CID 4060
Lisdexamfetamine
CID 11597698
Efegatran
CID 122267
Dup 714
CID 122296
Mephenytoin, (+)-
CID 107921
Phenylhydantoin
CID 1002
Methyl-phe-pro-amino-cyclohexylglycine
CID 448763
AC-(D)Phe-pro-borolys-OH
CID 5288064
Cyclo(L-Phe-L-Pro)
CID 443440
cyclo(L-leucyl-L-phenylalanyl)
CID 7076347
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 9906804

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one?
The IUPAC name of (5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one (CID 171057688) is (5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one.
What is the SMILES notation for (5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one?
The canonical SMILES for (5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one is CCCCN1C(=O)[C@@H](Cc2ccccc2)NC1(C)C.
What is the InChIKey of (5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one?
The InChIKey is SBNLJBNCMSGZME-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-5-11-18-15(19)14(17-16(18,2)3)12-13-9-7-6-8-10-13/h6-10,14,17H,4-5,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one?
(5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one has a molecular weight of 260.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one is sourced from PubChem (CID 171057688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).