6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

C17H20N2O2 — CID 142643787

IUPAC6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESCc1cc2c(cc1OCCn1ccnc1)CCCC2C=O
InChIInChI=1S/C17H20N2O2/c1-13-9-16-14(3-2-4-15(16)11-20)10-17(13)21-8-7-19-6-5-18-12-19/h5-6,9-12,15H,2-4,7-8H2,1H3
InChIKeyYDCXLDGBOHTWAG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.89
Rot. Bonds5

About 6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 142643787) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
PubChem CID142643787
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESCc1cc2c(cc1OCCn1ccnc1)CCCC2C=O
InChIInChI=1S/C17H20N2O2/c1-13-9-16-14(3-2-4-15(16)11-20)10-17(13)21-8-7-19-6-5-18-12-19/h5-6,9-12,15H,2-4,7-8H2,1H3
InChIKeyYDCXLDGBOHTWAG-UHFFFAOYSA-N
XLogP2.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of 6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (CID 142643787) is 6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is Cc1cc2c(cc1OCCn1ccnc1)CCCC2C=O.
What is the InChIKey of 6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is YDCXLDGBOHTWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-9-16-14(3-2-4-15(16)11-20)10-17(13)21-8-7-19-6-5-18-12-19/h5-6,9-12,15H,2-4,7-8H2,1H3.
What are the key properties of 6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 284.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 142643787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).