2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde

C13H14N2O2 — CID 174521610

IUPAC2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde
SMILESCCc1cn(-c2c(C=O)cccc2OC)cn1
InChIInChI=1S/C13H14N2O2/c1-3-11-7-15(9-14-11)13-10(8-16)5-4-6-12(13)17-2/h4-9H,3H2,1-2H3
InChIKeyWIMHJYSSAPYNQD-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.26
Rot. Bonds4

About 2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde

2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde (PubChem CID 174521610) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde
PubChem CID174521610
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde
SMILESCCc1cn(-c2c(C=O)cccc2OC)cn1
InChIInChI=1S/C13H14N2O2/c1-3-11-7-15(9-14-11)13-10(8-16)5-4-6-12(13)17-2/h4-9H,3H2,1-2H3
InChIKeyWIMHJYSSAPYNQD-UHFFFAOYSA-N
XLogP2.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.26
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 2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde?
The IUPAC name of 2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde (CID 174521610) is 2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde.
What is the SMILES notation for 2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde?
The canonical SMILES for 2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde is CCc1cn(-c2c(C=O)cccc2OC)cn1.
What is the InChIKey of 2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde?
The InChIKey is WIMHJYSSAPYNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-11-7-15(9-14-11)13-10(8-16)5-4-6-12(13)17-2/h4-9H,3H2,1-2H3.
What are the key properties of 2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde?
2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde has a molecular weight of 230.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylimidazol-1-yl)-3-methoxybenzaldehyde is sourced from PubChem (CID 174521610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).