2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde

C16H20N2O3 — CID 66154912

IUPAC2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCc2cncn2CC)c1
InChIInChI=1S/C16H20N2O3/c1-3-7-20-15-6-5-13(10-19)16(8-15)21-11-14-9-17-12-18(14)4-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3
InChIKeyNTGXAPYWZGXWGW-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.08
Rot. Bonds8

About 2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde

2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde (PubChem CID 66154912) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
PubChem CID66154912
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCc2cncn2CC)c1
InChIInChI=1S/C16H20N2O3/c1-3-7-20-15-6-5-13(10-19)16(8-15)21-11-14-9-17-12-18(14)4-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3
InChIKeyNTGXAPYWZGXWGW-UHFFFAOYSA-N
XLogP3.08
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 66141723
6-[(3-ethylimidazol-4-yl)methoxy]-1,3-benzodioxole-5-carbaldehyde
CID 66152420
2-[(5-bromo-3-pyridinyl)methoxy]-4-propoxybenzaldehyde
CID 115580502
2-[(1-methylpyrazol-4-yl)methoxy]-4-propoxybenzaldehyde
CID 43415503
3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde
CID 66154715
2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde
CID 43471263
4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
CID 66153443
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-4-propoxybenzaldehyde
CID 43388404
2-(1,2,4-oxadiazol-3-ylmethoxy)-4-propoxybenzaldehyde
CID 43388449
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-propoxybenzaldehyde
CID 43388442
5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
CID 66154570

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde?
The IUPAC name of 2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde (CID 66154912) is 2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde.
What is the SMILES notation for 2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde?
The canonical SMILES for 2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCc2cncn2CC)c1.
What is the InChIKey of 2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde?
The InChIKey is NTGXAPYWZGXWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-7-20-15-6-5-13(10-19)16(8-15)21-11-14-9-17-12-18(14)4-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3.
What are the key properties of 2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde?
2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde has a molecular weight of 288.35 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylimidazol-4-yl)methoxy]-4-propoxybenzaldehyde is sourced from PubChem (CID 66154912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).