2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole

C28H19N3O — CID 102031934

IUPAC2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C28H19N3O/c1-3-9-19(10-4-1)25-26(20-11-5-2-6-12-20)31-27(30-25)21-15-17-22(18-16-21)28-29-23-13-7-8-14-24(23)32-28/h1-18H,(H,30,31)
InChIKeyKGJHQBJAHCVHEN-UHFFFAOYSA-N
MW413.48 g/mol
LogP7.22
Rot. Bonds4

About 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole

2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole (PubChem CID 102031934) has the molecular formula C28H19N3O and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole
PubChem CID102031934
Molecular FormulaC28H19N3O
Molecular Weight413.48 g/mol
Exact Mass413.15
IUPAC Name2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C28H19N3O/c1-3-9-19(10-4-1)25-26(20-11-5-2-6-12-20)31-27(30-25)21-15-17-22(18-16-21)28-29-23-13-7-8-14-24(23)32-28/h1-18H,(H,30,31)
InChIKeyKGJHQBJAHCVHEN-UHFFFAOYSA-N
XLogP7.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744
2-(5-{4-[amino(Imino)methyl]phenyl}-2-Furyl)-1h-Benzimidazole-5-Carboximidamide
CID 459929
2-(1H-Benzimidazol-2-yl)-1,3-benzoxazole
CID 373877
2-(2-Methyl-1H-benzoimidazol-5-yl)-benzooxazol-5-ylamine
CID 3147263
N-Benzooxazol-2-yl-N',N''-dibenzoyl-guanidine
CID 3846713
4-(5-(Benzo[d]oxazol-2-yl)-1H-benzo[d]imidazol-2-yl)aniline
CID 687466
2-(2-Methyl-1H-benzoimidazol-5-yl)-benzooxazole
CID 831984
2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole
CID 3007934
2-(1H-Benzoimidazol-5-yl)-benzooxazole
CID 831980
Benzooxazol-2-yl-{4-[(5H-imidazol-1-yl)-phenyl-methyl]-phenyl}-amine
CID 16039690
2-Benzyl-N-methyl-N-[(4-methyl-1H-imidazol-2-YL)methyl]-1,3-benzoxazole-5-carboxamide
CID 24791476
2-[4-[5-(1H-benzimidazol-2-yl)benzofuran-2-yl]phenyl]-1H-benzimidazole
CID 25139629

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole (CID 102031934) is 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole is c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5o4)cc3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole?
The InChIKey is KGJHQBJAHCVHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O/c1-3-9-19(10-4-1)25-26(20-11-5-2-6-12-20)31-27(30-25)21-15-17-22(18-16-21)28-29-23-13-7-8-14-24(23)32-28/h1-18H,(H,30,31).
What are the key properties of 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole?
2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole has a molecular weight of 413.48 g/mol, XLogP of 7.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 102031934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).