(5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one

C15H22N2O — CID 101208884

IUPAC(5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one
SMILESCCCN1[C@@H](Cc2ccccc2)C(=O)NC1(C)C
InChIInChI=1S/C15H22N2O/c1-4-10-17-13(14(18)16-15(17,2)3)11-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyFWHVWEDVLDZARP-ZDUSSCGKSA-N
MW246.35 g/mol
LogP2.18
Rot. Bonds4

About (5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one

(5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one (PubChem CID 101208884) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one
PubChem CID101208884
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one
SMILESCCCN1[C@@H](Cc2ccccc2)C(=O)NC1(C)C
InChIInChI=1S/C15H22N2O/c1-4-10-17-13(14(18)16-15(17,2)3)11-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3,(H,16,18)/t13-/m0/s1
InChIKeyFWHVWEDVLDZARP-ZDUSSCGKSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione
CID 64902180
5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione
CID 91699920
6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64901986
(5R)-5-benzyl-3-butyl-2,2-dimethylimidazolidin-4-one
CID 171057688
1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
(3S,6S,9R,12S,15S,18R)-3,6,9,12,15,18-hexabenzyl-1,10-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 10855003
2-benzyl-1,3,3-trimethylpiperidin-4-one
CID 21448643
(3Z,6S)-6-benzyl-3-benzylidene-1-methylpiperazine-2,5-dione
CID 102507009
1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64887381
(6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione
CID 139058219
5-benzyl-2,4-dioxoimidazolidine-1-carboxamide
CID 70583178

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one?
The IUPAC name of (5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one (CID 101208884) is (5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one.
What is the SMILES notation for (5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one?
The canonical SMILES for (5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one is CCCN1[C@@H](Cc2ccccc2)C(=O)NC1(C)C.
What is the InChIKey of (5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one?
The InChIKey is FWHVWEDVLDZARP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-10-17-13(14(18)16-15(17,2)3)11-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one?
(5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one has a molecular weight of 246.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one is sourced from PubChem (CID 101208884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).