4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one

C9H12N4O — CID 106952715

IUPAC4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(c2cncn2C)NC1=O
InChIInChI=1S/C9H12N4O/c1-3-6-9(14)12-8(11-6)7-4-10-5-13(7)2/h4-6H,3H2,1-2H3,(H,11,12,14)
InChIKeyLPJMTOJJSALFFD-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.08
Rot. Bonds2

About 4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one

4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one (PubChem CID 106952715) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one
PubChem CID106952715
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(c2cncn2C)NC1=O
InChIInChI=1S/C9H12N4O/c1-3-6-9(14)12-8(11-6)7-4-10-5-13(7)2/h4-6H,3H2,1-2H3,(H,11,12,14)
InChIKeyLPJMTOJJSALFFD-UHFFFAOYSA-N
XLogP0.08
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-cyclopentyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 110203798
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide
CID 110203796
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]cyclobutanecarboxamide
CID 60311760
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]cyclopropanecarboxamide
CID 60312126
2-{4-[(1-isopropyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}-N-methylacetamide
CID 77085402
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1-isobutyl-1H-imidazol-5-yl)methyl]glycinamide
CID 91783805
N~2~-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-N~2~-methylglycinamide
CID 91829844
N-{1-[(1-ethyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}acetamide
CID 91832048
N-{1-[(1-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl}acetamide
CID 91841424
(3S)-N-methyl-3-[methyl-[(3-propan-2-ylimidazol-4-yl)methyl]amino]butanamide
CID 99944463
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 121495191

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one (CID 106952715) is 4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one is CCC1N=C(c2cncn2C)NC1=O.
What is the InChIKey of 4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is LPJMTOJJSALFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-6-9(14)12-8(11-6)7-4-10-5-13(7)2/h4-6H,3H2,1-2H3,(H,11,12,14).
What are the key properties of 4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one?
4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 192.22 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-methylimidazol-4-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).