2-ethyl-1,4-dihydroimidazol-5-one

C5H8N2O — CID 57435862

IUPAC2-ethyl-1,4-dihydroimidazol-5-one
SMILESCCC1=NCC(=O)N1
InChIInChI=1S/C5H8N2O/c1-2-4-6-3-5(8)7-4/h2-3H2,1H3,(H,6,7,8)
InChIKeyNBOQCTZQZWICLB-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.08
Rot. Bonds1

About 2-ethyl-1,4-dihydroimidazol-5-one

2-ethyl-1,4-dihydroimidazol-5-one (PubChem CID 57435862) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-ethyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-ethyl-1,4-dihydroimidazol-5-one
PubChem CID57435862
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-ethyl-1,4-dihydroimidazol-5-one
SMILESCCC1=NCC(=O)N1
InChIInChI=1S/C5H8N2O/c1-2-4-6-3-5(8)7-4/h2-3H2,1H3,(H,6,7,8)
InChIKeyNBOQCTZQZWICLB-UHFFFAOYSA-N
XLogP-0.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-1,4-dihydroimidazol-5-one
CID 348554
2,4,4-trimethyl-1H-imidazol-5-one
CID 12488968
2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetamide
CID 79508754
2-(2,2,2-Trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106951807
2-(3,3,3-Trifluoropropyl)-1,4-dihydroimidazol-5-one
CID 106951988
2-(2-Aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one
CID 10290843
2-butyl-3,5-dihydro-4H-imidazol-4-one
CID 10909654
2,4-Dimethyl-1,4-dihydroimidazol-5-one
CID 11571792
4-Methyl-2-propan-2-yl-1,4-dihydroimidazol-5-one
CID 18961683
2-Propyl-1H-imidazol-4(5H)-one
CID 19391756
2-propyl-1-sulfanyl-4H-imidazol-5-one
CID 22027206
2-(5-Oxo-1,4-dihydroimidazol-2-yl)acetamide
CID 22217190

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-ethyl-1,4-dihydroimidazol-5-one (CID 57435862) is 2-ethyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-ethyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-ethyl-1,4-dihydroimidazol-5-one is CCC1=NCC(=O)N1.
What is the InChIKey of 2-ethyl-1,4-dihydroimidazol-5-one?
The InChIKey is NBOQCTZQZWICLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-4-6-3-5(8)7-4/h2-3H2,1H3,(H,6,7,8).
What are the key properties of 2-ethyl-1,4-dihydroimidazol-5-one?
2-ethyl-1,4-dihydroimidazol-5-one has a molecular weight of 112.13 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 57435862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).