2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone

C21H21N3O2 — CID 39917259

IUPAC2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cn1cnc(-c2ccccc2)c1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H21N3O2/c25-19(23-11-13-26-14-12-23)15-24-16-22-20(17-7-3-1-4-8-17)21(24)18-9-5-2-6-10-18/h1-10,16H,11-15H2
InChIKeyZYTIHFAJQBSZLE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.08
Rot. Bonds4

About 2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone

2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 39917259) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID39917259
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cn1cnc(-c2ccccc2)c1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C21H21N3O2/c25-19(23-11-13-26-14-12-23)15-24-16-22-20(17-7-3-1-4-8-17)21(24)18-9-5-2-6-10-18/h1-10,16H,11-15H2
InChIKeyZYTIHFAJQBSZLE-UHFFFAOYSA-N
XLogP3.08
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone (CID 39917259) is 2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone is O=C(Cn1cnc(-c2ccccc2)c1-c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is ZYTIHFAJQBSZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-19(23-11-13-26-14-12-23)15-24-16-22-20(17-7-3-1-4-8-17)21(24)18-9-5-2-6-10-18/h1-10,16H,11-15H2.
What are the key properties of 2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone?
2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 347.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenylimidazol-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 39917259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).