1-benzyl-5-ethylimidazole;ethyl formate

C15H20N2O2 — CID 175286771

IUPAC1-benzyl-5-ethylimidazole;ethyl formate
SMILESCCOC=O.CCc1cncn1Cc1ccccc1
InChIInChI=1S/C12H14N2.C3H6O2/c1-2-12-8-13-10-14(12)9-11-6-4-3-5-7-11;1-2-5-3-4/h3-8,10H,2,9H2,1H3;3H,2H2,1H3
InChIKeyTZGJPSUQTPDSAQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.67
Rot. Bonds5

About 1-benzyl-5-ethylimidazole;ethyl formate

1-benzyl-5-ethylimidazole;ethyl formate (PubChem CID 175286771) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-benzyl-5-ethylimidazole;ethyl formate.

Molecular Properties

Compound Name1-benzyl-5-ethylimidazole;ethyl formate
PubChem CID175286771
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-benzyl-5-ethylimidazole;ethyl formate
SMILESCCOC=O.CCc1cncn1Cc1ccccc1
InChIInChI=1S/C12H14N2.C3H6O2/c1-2-12-8-13-10-14(12)9-11-6-4-3-5-7-11;1-2-5-3-4/h3-8,10H,2,9H2,1H3;3H,2H2,1H3
InChIKeyTZGJPSUQTPDSAQ-UHFFFAOYSA-N
XLogP2.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethylimidazole;ethyl formate?
The IUPAC name of 1-benzyl-5-ethylimidazole;ethyl formate (CID 175286771) is 1-benzyl-5-ethylimidazole;ethyl formate.
What is the SMILES notation for 1-benzyl-5-ethylimidazole;ethyl formate?
The canonical SMILES for 1-benzyl-5-ethylimidazole;ethyl formate is CCOC=O.CCc1cncn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethylimidazole;ethyl formate?
The InChIKey is TZGJPSUQTPDSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C3H6O2/c1-2-12-8-13-10-14(12)9-11-6-4-3-5-7-11;1-2-5-3-4/h3-8,10H,2,9H2,1H3;3H,2H2,1H3.
What are the key properties of 1-benzyl-5-ethylimidazole;ethyl formate?
1-benzyl-5-ethylimidazole;ethyl formate has a molecular weight of 260.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethylimidazole;ethyl formate is sourced from PubChem (CID 175286771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).