1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one

C17H25N3O — CID 80579598

IUPAC1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one
SMILESCNC(Cn1ccn(C)c1=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)11-14-5-7-15(8-6-14)16(18-3)12-20-10-9-19(4)17(20)21/h5-10,13,16,18H,11-12H2,1-4H3
InChIKeyGMBBPLGLNJMDQQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.35
Rot. Bonds6

About 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one

1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one (PubChem CID 80579598) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one
PubChem CID80579598
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one
SMILESCNC(Cn1ccn(C)c1=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H25N3O/c1-13(2)11-14-5-7-15(8-6-14)16(18-3)12-20-10-9-19(4)17(20)21/h5-10,13,16,18H,11-12H2,1-4H3
InChIKeyGMBBPLGLNJMDQQ-UHFFFAOYSA-N
XLogP2.35
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one
CID 62491482
1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one
CID 80579849
3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43480587
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one
CID 103934874
N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine
CID 102606147
3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one
CID 63172597
1-[2-(methylamino)-2-(3-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581733
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207182
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 80581913
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one (CID 80579598) is 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one is CNC(Cn1ccn(C)c1=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one?
The InChIKey is GMBBPLGLNJMDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)11-14-5-7-15(8-6-14)16(18-3)12-20-10-9-19(4)17(20)21/h5-10,13,16,18H,11-12H2,1-4H3.
What are the key properties of 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one?
1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one is sourced from PubChem (CID 80579598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).