4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one

C9H14N2O — CID 106952774

IUPAC4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(C2(C)CC2)NC1=O
InChIInChI=1S/C9H14N2O/c1-3-6-7(12)11-8(10-6)9(2)4-5-9/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyNBKBWHDKPVBNLO-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.09
Rot. Bonds2

About 4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one

4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one (PubChem CID 106952774) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one
PubChem CID106952774
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(C2(C)CC2)NC1=O
InChIInChI=1S/C9H14N2O/c1-3-6-7(12)11-8(10-6)9(2)4-5-9/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyNBKBWHDKPVBNLO-UHFFFAOYSA-N
XLogP1.09
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one (CID 106952774) is 4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one is CCC1N=C(C2(C)CC2)NC1=O.
What is the InChIKey of 4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one?
The InChIKey is NBKBWHDKPVBNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-6-7(12)11-8(10-6)9(2)4-5-9/h6H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one?
4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one has a molecular weight of 166.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).