5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one

C11H14N4O2 — CID 114939050

IUPAC5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccc(OC)nc1
InChIInChI=1S/C11H14N4O2/c1-3-15-9(10(12)14-11(15)16)7-4-5-8(17-2)13-6-7/h4-6,9H,3H2,1-2H3,(H2,12,14,16)
InChIKeyYNJAYOPQFVEZIT-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.94
Rot. Bonds3

About 5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one

5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one (PubChem CID 114939050) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
PubChem CID114939050
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
SMILESCCN1C(=O)N=C(N)C1c1ccc(OC)nc1
InChIInChI=1S/C11H14N4O2/c1-3-15-9(10(12)14-11(15)16)7-4-5-8(17-2)13-6-7/h4-6,9H,3H2,1-2H3,(H2,12,14,16)
InChIKeyYNJAYOPQFVEZIT-UHFFFAOYSA-N
XLogP0.94
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one (CID 114939050) is 5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one is CCN1C(=O)N=C(N)C1c1ccc(OC)nc1.
What is the InChIKey of 5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one?
The InChIKey is YNJAYOPQFVEZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-15-9(10(12)14-11(15)16)7-4-5-8(17-2)13-6-7/h4-6,9H,3H2,1-2H3,(H2,12,14,16).
What are the key properties of 5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one?
5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one has a molecular weight of 234.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one is sourced from PubChem (CID 114939050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).