1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one

C16H23N3O — CID 80580469

IUPAC1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one
SMILESCCNC(Cn1ccn(C)c1=O)c1cc(C)ccc1C
InChIInChI=1S/C16H23N3O/c1-5-17-15(11-19-9-8-18(4)16(19)20)14-10-12(2)6-7-13(14)3/h6-10,15,17H,5,11H2,1-4H3
InChIKeyVNZGIGAWBPXFQQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.15
Rot. Bonds5

About 1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one

1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one (PubChem CID 80580469) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one
PubChem CID80580469
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one
SMILESCCNC(Cn1ccn(C)c1=O)c1cc(C)ccc1C
InChIInChI=1S/C16H23N3O/c1-5-17-15(11-19-9-8-18(4)16(19)20)14-10-12(2)6-7-13(14)3/h6-10,15,17H,5,11H2,1-4H3
InChIKeyVNZGIGAWBPXFQQ-UHFFFAOYSA-N
XLogP2.15
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]-3-methylimidazol-2-one
CID 80583254
1-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]-4-methylpyridin-2-one
CID 62962661
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione
CID 62929078
1-[2-(ethylamino)butyl]-3-methylimidazol-2-one
CID 80580386
1-(2,5-dimethylphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55110466
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025629
3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one
CID 63769355
1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
CID 80579539
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012514
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
CID 65233713

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one (CID 80580469) is 1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one is CCNC(Cn1ccn(C)c1=O)c1cc(C)ccc1C.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one?
The InChIKey is VNZGIGAWBPXFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-17-15(11-19-9-8-18(4)16(19)20)14-10-12(2)6-7-13(14)3/h6-10,15,17H,5,11H2,1-4H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one?
1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80580469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).