1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole

C12H24N2O2 — CID 57112100

IUPAC1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole
SMILESCCOCCN1C=CN(CCOCC)C1C
InChIInChI=1S/C12H24N2O2/c1-4-15-10-8-13-6-7-14(12(13)3)9-11-16-5-2/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyHEOGDWQARXZKIK-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.49
Rot. Bonds8

About 1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole

1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole (PubChem CID 57112100) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole
PubChem CID57112100
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole
SMILESCCOCCN1C=CN(CCOCC)C1C
InChIInChI=1S/C12H24N2O2/c1-4-15-10-8-13-6-7-14(12(13)3)9-11-16-5-2/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyHEOGDWQARXZKIK-UHFFFAOYSA-N
XLogP1.49
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole?
The IUPAC name of 1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole (CID 57112100) is 1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole.
What is the SMILES notation for 1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole?
The canonical SMILES for 1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole is CCOCCN1C=CN(CCOCC)C1C.
What is the InChIKey of 1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole?
The InChIKey is HEOGDWQARXZKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-15-10-8-13-6-7-14(12(13)3)9-11-16-5-2/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole?
1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole has a molecular weight of 228.34 g/mol, XLogP of 1.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-ethoxyethyl)-2-methyl-2H-imidazole is sourced from PubChem (CID 57112100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).