2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol

C26H23N3O2 — CID 3693132

IUPAC2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol
SMILESCOc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3n2CCO)cc1
InChIInChI=1S/C26H23N3O2/c1-31-22-14-12-19(13-15-22)23-18-29-25(21-10-6-3-7-11-21)24(20-8-4-2-5-9-20)27-26(29)28(23)16-17-30/h2-15,18,30H,16-17H2,1H3
InChIKeyLPUBXMBXJSSDKE-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.14
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol

2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol (PubChem CID 3693132) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol
PubChem CID3693132
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol
SMILESCOc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3n2CCO)cc1
InChIInChI=1S/C26H23N3O2/c1-31-22-14-12-19(13-15-22)23-18-29-25(21-10-6-3-7-11-21)24(20-8-4-2-5-9-20)27-26(29)28(23)16-17-30/h2-15,18,30H,16-17H2,1H3
InChIKeyLPUBXMBXJSSDKE-UHFFFAOYSA-N
XLogP5.14
TPSA51.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol (CID 3693132) is 2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol is COc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3n2CCO)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol?
The InChIKey is LPUBXMBXJSSDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-31-22-14-12-19(13-15-22)23-18-29-25(21-10-6-3-7-11-21)24(20-8-4-2-5-9-20)27-26(29)28(23)16-17-30/h2-15,18,30H,16-17H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol?
2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol has a molecular weight of 409.49 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-5,6-diphenylimidazo[1,2-a]imidazol-1-yl]ethanol is sourced from PubChem (CID 3693132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).