3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one

C15H20N2O — CID 142133732

IUPAC3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one
SMILESC=C1NC(CC(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H20N2O/c1-11(2)9-14-15(18)17(12(3)16-14)10-13-7-5-4-6-8-13/h4-8,11,14,16H,3,9-10H2,1-2H3
InChIKeyWVPAUJVBGMGTCC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.50
Rot. Bonds4

About 3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one

3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 142133732) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID142133732
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one
SMILESC=C1NC(CC(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C15H20N2O/c1-11(2)9-14-15(18)17(12(3)16-14)10-13-7-5-4-6-8-13/h4-8,11,14,16H,3,9-10H2,1-2H3
InChIKeyWVPAUJVBGMGTCC-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-3-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2604902
(3R)-1-benzyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 102440944
4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 40988261
N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2704236
(5S)-3-[(2-fluorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2604891
1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909055
(5S)-5-(2-methylpropyl)-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 2704119
(5S)-3-[2-(benzenesulfonyl)ethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 52544059
(3S)-1-benzyl-3-(2-methylpropyl)piperazine;(3S)-1-benzyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 162087716
(1S,5S)-3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 98056412
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2704316
(3S,7S,8aS)-7-(benzylamino)-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 126462588

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one (CID 142133732) is 3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one is C=C1NC(CC(C)C)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is WVPAUJVBGMGTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)9-14-15(18)17(12(3)16-14)10-13-7-5-4-6-8-13/h4-8,11,14,16H,3,9-10H2,1-2H3.
What are the key properties of 3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one?
3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 244.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 142133732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).