1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone

C9H15N3O — CID 82408247

IUPAC1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone
SMILESCCn1cnc(C)c1C(=O)CNC
InChIInChI=1S/C9H15N3O/c1-4-12-6-11-7(2)9(12)8(13)5-10-3/h6,10H,4-5H2,1-3H3
InChIKeyHJMZMYKYWNJMHL-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.61
Rot. Bonds4

About 1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone

1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone (PubChem CID 82408247) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone
PubChem CID82408247
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone
SMILESCCn1cnc(C)c1C(=O)CNC
InChIInChI=1S/C9H15N3O/c1-4-12-6-11-7(2)9(12)8(13)5-10-3/h6,10H,4-5H2,1-3H3
InChIKeyHJMZMYKYWNJMHL-UHFFFAOYSA-N
XLogP0.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83831960
2-(methylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84777303
ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate
CID 156703969
ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate
CID 101483745
methyl 3-ethyl-5-formylimidazole-4-carboxylate
CID 172593322
3-ethyl-5-methylimidazol-4-amine
CID 62075163
1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83829041
3-(3-bromopropyl)-5-methylimidazole-4-carboxylic acid
CID 141135914
2-(methylamino)-1-(1-methylpyrazol-4-yl)ethanone
CID 82595196
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
1-(5-methoxy-6-methylpyrazin-2-yl)-2-(methylamino)ethanone
CID 83830935

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone (CID 82408247) is 1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone is CCn1cnc(C)c1C(=O)CNC.
What is the InChIKey of 1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone?
The InChIKey is HJMZMYKYWNJMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-12-6-11-7(2)9(12)8(13)5-10-3/h6,10H,4-5H2,1-3H3.
What are the key properties of 1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone?
1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone has a molecular weight of 181.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 82408247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).