6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one

C23H17N3O2 — CID 56641613

IUPAC6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc2N1
InChIInChI=1S/C23H17N3O2/c27-20-14-28-19-12-11-17(13-18(19)24-20)22-21(15-7-3-1-4-8-15)25-23(26-22)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,27)(H,25,26)
InChIKeyIXASVHSVVNKGHM-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.74
Rot. Bonds3

About 6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one

6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 56641613) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one
PubChem CID56641613
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc2N1
InChIInChI=1S/C23H17N3O2/c27-20-14-28-19-12-11-17(13-18(19)24-20)22-21(15-7-3-1-4-8-15)25-23(26-22)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,27)(H,25,26)
InChIKeyIXASVHSVVNKGHM-UHFFFAOYSA-N
XLogP4.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one (CID 56641613) is 6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc2N1.
What is the InChIKey of 6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is IXASVHSVVNKGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-20-14-28-19-12-11-17(13-18(19)24-20)22-21(15-7-3-1-4-8-15)25-23(26-22)16-9-5-2-6-10-16/h1-13H,14H2,(H,24,27)(H,25,26).
What are the key properties of 6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one?
6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 367.41 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 56641613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).