8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine

C28H18N4O — CID 163488292

IUPAC8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine
SMILESC1=Cc2cccc(C3N=CC=N3)c2Nc2c1cccc2-c1ccc2oc3cccnc3c2c1
InChIInChI=1S/C28H18N4O/c1-4-17-9-10-18-5-2-7-21(28-30-14-15-31-28)26(18)32-25(17)20(6-1)19-11-12-23-22(16-19)27-24(33-23)8-3-13-29-27/h1-16,28,32H
InChIKeyJQTPEXANKONGCR-UHFFFAOYSA-N
MW426.48 g/mol
LogP7.03
Rot. Bonds2

About 8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine

8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 163488292) has the molecular formula C28H18N4O and a molecular weight of 426.48 g/mol. Its IUPAC name is 8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID163488292
Molecular FormulaC28H18N4O
Molecular Weight426.48 g/mol
Exact Mass426.15
IUPAC Name8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine
SMILESC1=Cc2cccc(C3N=CC=N3)c2Nc2c1cccc2-c1ccc2oc3cccnc3c2c1
InChIInChI=1S/C28H18N4O/c1-4-17-9-10-18-5-2-7-21(28-30-14-15-31-28)26(18)32-25(17)20(6-1)19-11-12-23-22(16-19)27-24(33-23)8-3-13-29-27/h1-16,28,32H
InChIKeyJQTPEXANKONGCR-UHFFFAOYSA-N
XLogP7.03
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265570
10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
CID 146301042
8-[3-[3-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265589
8-[3-[3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265559
8-[2-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122692983
8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane
CID 144553631
8-(2-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 157260018
8-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140837
CID 90291971
CID 90291971
10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline
CID 146301174
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
CID 70245532
2-dibenzofuran-2-yl-8-[3-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]dibenzofuran;3-dibenzofuran-2-yl-5-(8-dibenzofuran-2-yldibenzofuran-2-yl)pyridine;8-[8-[3-(8-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-[1]benzofuro[3,2-b]pyridine;3-(8-phenyldibenzofuran-2-yl)-5-[8-(8-phenyldibenzofuran-2-yl)dibenzofuran-2-yl]pyridine
CID 159244725

Frequently Asked Questions

What is the IUPAC name of 8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine (CID 163488292) is 8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine is C1=Cc2cccc(C3N=CC=N3)c2Nc2c1cccc2-c1ccc2oc3cccnc3c2c1.
What is the InChIKey of 8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is JQTPEXANKONGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O/c1-4-17-9-10-18-5-2-7-21(28-30-14-15-31-28)26(18)32-25(17)20(6-1)19-11-12-23-22(16-19)27-24(33-23)8-3-13-29-27/h1-16,28,32H.
What are the key properties of 8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine?
8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 426.48 g/mol, XLogP of 7.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-(2H-imidazol-2-yl)-11H-benzo[b][1]benzazepin-1-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 163488292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).