5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine

C10H13N3O — CID 86258578

IUPAC5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine
SMILES[H]/N=C1\C=C(n2ccnc2)C(C)(CC)O1
InChIInChI=1S/C10H13N3O/c1-3-10(2)8(6-9(11)14-10)13-5-4-12-7-13/h4-7,11H,3H2,1-2H3/b11-9+
InChIKeyHBZRLOUMSWSOIF-PKNBQFBNSA-N
MW191.23 g/mol
LogP1.90
Rot. Bonds2

About 5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine

5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine (PubChem CID 86258578) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine.

Molecular Properties

Compound Name5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine
PubChem CID86258578
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine
SMILES[H]/N=C1\C=C(n2ccnc2)C(C)(CC)O1
InChIInChI=1S/C10H13N3O/c1-3-10(2)8(6-9(11)14-10)13-5-4-12-7-13/h4-7,11H,3H2,1-2H3/b11-9+
InChIKeyHBZRLOUMSWSOIF-PKNBQFBNSA-N
XLogP1.90
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine?
The IUPAC name of 5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine (CID 86258578) is 5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine.
What is the SMILES notation for 5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine?
The canonical SMILES for 5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine is [H]/N=C1\C=C(n2ccnc2)C(C)(CC)O1.
What is the InChIKey of 5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine?
The InChIKey is HBZRLOUMSWSOIF-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-10(2)8(6-9(11)14-10)13-5-4-12-7-13/h4-7,11H,3H2,1-2H3/b11-9+.
What are the key properties of 5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine?
5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine has a molecular weight of 191.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-imidazol-1-yl-5-methylfuran-2-imine is sourced from PubChem (CID 86258578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).