methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate

C24H20N2O3 — CID 25190464

IUPACmethyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-n2cnc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O3/c1-28-22(27)16-29-21-14-12-20(13-15-21)26-17-25-23(18-8-4-2-5-9-18)24(26)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3
InChIKeyBOCCLLGOKLLQJI-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.76
Rot. Bonds6

About methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate

methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate (PubChem CID 25190464) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate
PubChem CID25190464
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Namemethyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-n2cnc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O3/c1-28-22(27)16-29-21-14-12-20(13-15-21)26-17-25-23(18-8-4-2-5-9-18)24(26)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3
InChIKeyBOCCLLGOKLLQJI-UHFFFAOYSA-N
XLogP4.76
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate (CID 25190464) is methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate is COC(=O)COc1ccc(-n2cnc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate?
The InChIKey is BOCCLLGOKLLQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-28-22(27)16-29-21-14-12-20(13-15-21)26-17-25-23(18-8-4-2-5-9-18)24(26)19-10-6-3-7-11-19/h2-15,17H,16H2,1H3.
What are the key properties of methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate?
methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate has a molecular weight of 384.44 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4,5-diphenylimidazol-1-yl)phenoxy]acetate is sourced from PubChem (CID 25190464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).