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

C16H18N2O2 — CID 142643783

IUPAC6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESO=CC1CCCc2cc(OCCn3ccnc3)ccc21
InChIInChI=1S/C16H18N2O2/c19-11-14-3-1-2-13-10-15(4-5-16(13)14)20-9-8-18-7-6-17-12-18/h4-7,10-12,14H,1-3,8-9H2
InChIKeyTUVVIDSLDRWRGG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.58
Rot. Bonds5

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

6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 142643783) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
PubChem CID142643783
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESO=CC1CCCc2cc(OCCn3ccnc3)ccc21
InChIInChI=1S/C16H18N2O2/c19-11-14-3-1-2-13-10-15(4-5-16(13)14)20-9-8-18-7-6-17-12-18/h4-7,10-12,14H,1-3,8-9H2
InChIKeyTUVVIDSLDRWRGG-UHFFFAOYSA-N
XLogP2.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.58
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)-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

Related Compounds

6-(2-imidazol-1-ylethoxy)-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 142643787
(1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091266
7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one
CID 18626469
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
2-(2-imidazol-1-ylethoxy)-4-propoxybenzaldehyde
CID 43471263
2-[(2,3-dimethoxyphenyl)methylidene]-6-(2-imidazol-1-ylethoxy)-3,4-dihydronaphthalen-1-one
CID 54154260
(2E)-2-[(4-fluorophenyl)methylidene]-6-(2-imidazol-1-ylethoxy)-3,4-dihydronaphthalen-1-one
CID 18626475
2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid
CID 104651233
7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one
CID 18626516
(2E)-6-(2-imidazol-1-ylethoxy)-2-[(2,3,4-trimethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 18626529
(1S)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 99696414
1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 24771157

Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of 6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (CID 142643783) is 6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is O=CC1CCCc2cc(OCCn3ccnc3)ccc21.
What is the InChIKey of 6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is TUVVIDSLDRWRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-11-14-3-1-2-13-10-15(4-5-16(13)14)20-9-8-18-7-6-17-12-18/h4-7,10-12,14H,1-3,8-9H2.
What are the key properties of 6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 270.33 g/mol, XLogP of 2.58, 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)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 142643783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).