5-ethyl-4-methoxy-1H-imidazole

C6H10N2O — CID 45092622

IUPAC5-ethyl-4-methoxy-1H-imidazole
SMILESCCc1[nH]cnc1OC
InChIInChI=1S/C6H10N2O/c1-3-5-6(9-2)8-4-7-5/h4H,3H2,1-2H3,(H,7,8)
InChIKeyVWKIOPYFNFPOTG-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.98
Rot. Bonds2

About 5-ethyl-4-methoxy-1H-imidazole

5-ethyl-4-methoxy-1H-imidazole (PubChem CID 45092622) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-ethyl-4-methoxy-1H-imidazole.

Molecular Properties

Compound Name5-ethyl-4-methoxy-1H-imidazole
PubChem CID45092622
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-ethyl-4-methoxy-1H-imidazole
SMILESCCc1[nH]cnc1OC
InChIInChI=1S/C6H10N2O/c1-3-5-6(9-2)8-4-7-5/h4H,3H2,1-2H3,(H,7,8)
InChIKeyVWKIOPYFNFPOTG-UHFFFAOYSA-N
XLogP0.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methoxy-1H-imidazole?
The IUPAC name of 5-ethyl-4-methoxy-1H-imidazole (CID 45092622) is 5-ethyl-4-methoxy-1H-imidazole.
What is the SMILES notation for 5-ethyl-4-methoxy-1H-imidazole?
The canonical SMILES for 5-ethyl-4-methoxy-1H-imidazole is CCc1[nH]cnc1OC.
What is the InChIKey of 5-ethyl-4-methoxy-1H-imidazole?
The InChIKey is VWKIOPYFNFPOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-6(9-2)8-4-7-5/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of 5-ethyl-4-methoxy-1H-imidazole?
5-ethyl-4-methoxy-1H-imidazole has a molecular weight of 126.16 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methoxy-1H-imidazole is sourced from PubChem (CID 45092622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).