4-ethoxy-5-methyl-1H-imidazole

C6H10N2O — CID 10986229

IUPAC4-ethoxy-5-methyl-1H-imidazole
SMILESCCOc1nc[nH]c1C
InChIInChI=1S/C6H10N2O/c1-3-9-6-5(2)7-4-8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyKIASLKQJMUZOKI-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.12
Rot. Bonds2

About 4-ethoxy-5-methyl-1H-imidazole

4-ethoxy-5-methyl-1H-imidazole (PubChem CID 10986229) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-ethoxy-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-ethoxy-5-methyl-1H-imidazole
PubChem CID10986229
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4-ethoxy-5-methyl-1H-imidazole
SMILESCCOc1nc[nH]c1C
InChIInChI=1S/C6H10N2O/c1-3-9-6-5(2)7-4-8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyKIASLKQJMUZOKI-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methyl-1H-imidazole?
The IUPAC name of 4-ethoxy-5-methyl-1H-imidazole (CID 10986229) is 4-ethoxy-5-methyl-1H-imidazole.
What is the SMILES notation for 4-ethoxy-5-methyl-1H-imidazole?
The canonical SMILES for 4-ethoxy-5-methyl-1H-imidazole is CCOc1nc[nH]c1C.
What is the InChIKey of 4-ethoxy-5-methyl-1H-imidazole?
The InChIKey is KIASLKQJMUZOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-9-6-5(2)7-4-8-6/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of 4-ethoxy-5-methyl-1H-imidazole?
4-ethoxy-5-methyl-1H-imidazole has a molecular weight of 126.16 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methyl-1H-imidazole is sourced from PubChem (CID 10986229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).