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

C11H18N2O3 — CID 106952717

IUPAC4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(C2(OC)CCOCC2)NC1=O
InChIInChI=1S/C11H18N2O3/c1-3-8-9(14)13-10(12-8)11(15-2)4-6-16-7-5-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyZBNAEDOZOXVNJL-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.49
Rot. Bonds3

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

4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one (PubChem CID 106952717) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one
PubChem CID106952717
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one
SMILESCCC1N=C(C2(OC)CCOCC2)NC1=O
InChIInChI=1S/C11H18N2O3/c1-3-8-9(14)13-10(12-8)11(15-2)4-6-16-7-5-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyZBNAEDOZOXVNJL-UHFFFAOYSA-N
XLogP0.49
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(1-methylcyclopropyl)-1,4-dihydroimidazol-5-one
CID 106952774
2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953015
4-ethyl-2-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one
CID 106952766
(5R)-5-ethyl-3-methoxy-2,5-dihydro-1H-pyrazin-6-one
CID 142558595
[3-(4-methoxyoxan-4-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 116782471
(1R)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915552
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
[2-(4-methoxyoxan-4-yl)-1H-imidazol-5-yl]methanamine
CID 116779727
1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116742107
2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136963703
5-iodo-2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964011
5-bromo-2-(4-methoxyoxan-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136964103

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one (CID 106952717) is 4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one is CCC1N=C(C2(OC)CCOCC2)NC1=O.
What is the InChIKey of 4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is ZBNAEDOZOXVNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-8-9(14)13-10(12-8)11(15-2)4-6-16-7-5-11/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one?
4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 226.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).