1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one

C13H17N3O — CID 123261563

IUPAC1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one
SMILESC=CN(C)c1ccc(CN2CCNC2=O)cc1
InChIInChI=1S/C13H17N3O/c1-3-15(2)12-6-4-11(5-7-12)10-16-9-8-14-13(16)17/h3-7H,1,8-10H2,2H3,(H,14,17)
InChIKeyVPMVBXBTEAKVGM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.79
Rot. Bonds4

About 1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one

1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one (PubChem CID 123261563) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one
PubChem CID123261563
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one
SMILESC=CN(C)c1ccc(CN2CCNC2=O)cc1
InChIInChI=1S/C13H17N3O/c1-3-15(2)12-6-4-11(5-7-12)10-16-9-8-14-13(16)17/h3-7H,1,8-10H2,2H3,(H,14,17)
InChIKeyVPMVBXBTEAKVGM-UHFFFAOYSA-N
XLogP1.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]imidazolidin-2-one
CID 5076481
1-[(2-chlorothiophen-3-yl)methyl]imidazolidin-2-one
CID 131091967
1-[(6-iodo-3-pyridinyl)methyl]imidazolidin-2-one
CID 134601119
1-[[3-[3-(dihydroxyamino)phenyl]-4-methoxyphenyl]methyl]imidazolidin-2-one
CID 89122415
1-[(6-methyl-3-pyridinyl)methyl]-1,3-diazinan-2-one
CID 115371155
1-[[4-[[5-(1-hydroxyethenyl)-3-pyridinyl]methyl]phenyl]methyl]imidazolidin-2-one
CID 118220636
1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
CID 115370501
1-ethylimidazolidin-2-one;hydrochloride
CID 21472714
1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one
CID 114702369
1-[(6-methyl-2-pyridinyl)methyl]imidazolidin-2-one
CID 115370613
1-prop-2-enylimidazolidin-2-one;sulfuric acid
CID 174800474
1-(1,3-benzodioxol-5-ylmethyl)-1,3-diazinan-2-one;hydrobromide
CID 141132278

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one (CID 123261563) is 1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one is C=CN(C)c1ccc(CN2CCNC2=O)cc1.
What is the InChIKey of 1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one?
The InChIKey is VPMVBXBTEAKVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-15(2)12-6-4-11(5-7-12)10-16-9-8-14-13(16)17/h3-7H,1,8-10H2,2H3,(H,14,17).
What are the key properties of 1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one?
1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[ethenyl(methyl)amino]phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 123261563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).