1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one

C17H25N3O — CID 80579849

IUPAC1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one
SMILESCCc1ccc(C(Cn2ccn(C(C)C)c2=O)NC)cc1
InChIInChI=1S/C17H25N3O/c1-5-14-6-8-15(9-7-14)16(18-4)12-19-10-11-20(13(2)3)17(19)21/h6-11,13,16,18H,5,12H2,1-4H3
InChIKeyGQNGIKTXEAIUKX-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.75
Rot. Bonds6

About 1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one

1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one (PubChem CID 80579849) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one
PubChem CID80579849
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one
SMILESCCc1ccc(C(Cn2ccn(C(C)C)c2=O)NC)cc1
InChIInChI=1S/C17H25N3O/c1-5-14-6-8-15(9-7-14)16(18-4)12-19-10-11-20(13(2)3)17(19)21/h6-11,13,16,18H,5,12H2,1-4H3
InChIKeyGQNGIKTXEAIUKX-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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]imidazol-2-one
CID 80579598
1-(4-ethylphenyl)-2-ethylsulfinyl-N-methylethanamine
CID 64653780
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
1-[2-amino-2-(4-fluorophenyl)ethyl]-3-propan-2-ylimidazol-2-one
CID 107522959
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one
CID 63172597
2-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-5-methylpyridazin-3-one
CID 106548589
4-(4-ethylphenyl)-4-(methylamino)butanoic acid
CID 112517844
1-(4-ethylphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62543737
1-(4-ethylphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64651139
1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one
CID 62880658
2-methyl-3-(2-oxo-3-propan-2-ylimidazol-1-yl)propanamide
CID 116624943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one (CID 80579849) is 1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one is CCc1ccc(C(Cn2ccn(C(C)C)c2=O)NC)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is GQNGIKTXEAIUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-14-6-8-15(9-7-14)16(18-4)12-19-10-11-20(13(2)3)17(19)21/h6-11,13,16,18H,5,12H2,1-4H3.
What are the key properties of 1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one?
1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)-2-(methylamino)ethyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80579849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).