2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

C35H32N2O4 — CID 15236832

IUPAC2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCCC2CCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C35H32N2O4/c38-32(39)24-41-31-21-11-19-29-25(16-10-20-30(29)31)22-23-36-33(26-12-4-1-5-13-26)34(27-14-6-2-7-15-27)37(35(36)40)28-17-8-3-9-18-28/h1-9,11-15,17-19,21,25H,10,16,20,22-24H2,(H,38,39)
InChIKeyKTECRIMONSEGDS-UHFFFAOYSA-N
MW544.65 g/mol
LogP6.95
Rot. Bonds9

About 2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid

2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (PubChem CID 15236832) has the molecular formula C35H32N2O4 and a molecular weight of 544.65 g/mol. Its IUPAC name is 2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
PubChem CID15236832
Molecular FormulaC35H32N2O4
Molecular Weight544.65 g/mol
Exact Mass544.24
IUPAC Name2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
SMILESO=C(O)COc1cccc2c1CCCC2CCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C35H32N2O4/c38-32(39)24-41-31-21-11-19-29-25(16-10-20-30(29)31)22-23-36-33(26-12-4-1-5-13-26)34(27-14-6-2-7-15-27)37(35(36)40)28-17-8-3-9-18-28/h1-9,11-15,17-19,21,25H,10,16,20,22-24H2,(H,38,39)
InChIKeyKTECRIMONSEGDS-UHFFFAOYSA-N
XLogP6.95
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-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-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The IUPAC name of 2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid (CID 15236832) is 2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The canonical SMILES for 2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is O=C(O)COc1cccc2c1CCCC2CCn1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
The InChIKey is KTECRIMONSEGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O4/c38-32(39)24-41-31-21-11-19-29-25(16-10-20-30(29)31)22-23-36-33(26-12-4-1-5-13-26)34(27-14-6-2-7-15-27)37(35(36)40)28-17-8-3-9-18-28/h1-9,11-15,17-19,21,25H,10,16,20,22-24H2,(H,38,39).
What are the key properties of 2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid?
2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid has a molecular weight of 544.65 g/mol, XLogP of 6.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(2-oxo-3,4,5-triphenylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid is sourced from PubChem (CID 15236832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).