1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one

C11H14N2O2 — CID 116624149

IUPAC1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one
SMILESCCn1ccn(Cc2ccc(C)o2)c1=O
InChIInChI=1S/C11H14N2O2/c1-3-12-6-7-13(11(12)14)8-10-5-4-9(2)15-10/h4-7H,3,8H2,1-2H3
InChIKeyCGINGYDBMGQLHR-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.62
Rot. Bonds3

About 1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one

1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one (PubChem CID 116624149) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one
PubChem CID116624149
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one
SMILESCCn1ccn(Cc2ccc(C)o2)c1=O
InChIInChI=1S/C11H14N2O2/c1-3-12-6-7-13(11(12)14)8-10-5-4-9(2)15-10/h4-7H,3,8H2,1-2H3
InChIKeyCGINGYDBMGQLHR-UHFFFAOYSA-N
XLogP1.62
TPSA40.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one (CID 116624149) is 1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one is CCn1ccn(Cc2ccc(C)o2)c1=O.
What is the InChIKey of 1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one?
The InChIKey is CGINGYDBMGQLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-12-6-7-13(11(12)14)8-10-5-4-9(2)15-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one?
1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(5-methylfuran-2-yl)methyl]imidazol-2-one is sourced from PubChem (CID 116624149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).