2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

C17H18N2O3 — CID 54557588

IUPAC2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCC(C=Cc1cnc[nH]1)C2
InChIInChI=1S/C17H18N2O3/c20-17(21)10-22-16-3-1-2-13-8-12(5-7-15(13)16)4-6-14-9-18-11-19-14/h1-4,6,9,11-12H,5,7-8,10H2,(H,18,19)(H,20,21)
InChIKeyZOGBQGBBUOZJIP-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.69
Rot. Bonds5

About 2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 54557588) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID54557588
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCC(C=Cc1cnc[nH]1)C2
InChIInChI=1S/C17H18N2O3/c20-17(21)10-22-16-3-1-2-13-8-12(5-7-15(13)16)4-6-14-9-18-11-19-14/h1-4,6,9,11-12H,5,7-8,10H2,(H,18,19)(H,20,21)
InChIKeyZOGBQGBBUOZJIP-UHFFFAOYSA-N
XLogP2.69
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid 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 2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 54557588) is 2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is O=C(O)COc1cccc2c1CCC(C=Cc1cnc[nH]1)C2.
What is the InChIKey of 2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is ZOGBQGBBUOZJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-17(21)10-22-16-3-1-2-13-8-12(5-7-15(13)16)4-6-14-9-18-11-19-14/h1-4,6,9,11-12H,5,7-8,10H2,(H,18,19)(H,20,21).
What are the key properties of 2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid has a molecular weight of 298.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-(1H-imidazol-5-yl)ethenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 54557588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).