3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine

C24H19Br2N3 — CID 131983327

IUPAC3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine
SMILESBrc1cc(Br)cc(C2Nc3cc(-c4ccccc4)cnc3N2C2=CCCC=C2)c1
InChIInChI=1S/C24H19Br2N3/c25-19-11-17(12-20(26)14-19)23-28-22-13-18(16-7-3-1-4-8-16)15-27-24(22)29(23)21-9-5-2-6-10-21/h1,3-5,7-15,23,28H,2,6H2
InChIKeySVZTUMBBEUCITG-UHFFFAOYSA-N
MW509.25 g/mol
LogP7.44
Rot. Bonds3

About 3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine

3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine (PubChem CID 131983327) has the molecular formula C24H19Br2N3 and a molecular weight of 509.25 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine
PubChem CID131983327
Molecular FormulaC24H19Br2N3
Molecular Weight509.25 g/mol
Exact Mass506.99
IUPAC Name3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine
SMILESBrc1cc(Br)cc(C2Nc3cc(-c4ccccc4)cnc3N2C2=CCCC=C2)c1
InChIInChI=1S/C24H19Br2N3/c25-19-11-17(12-20(26)14-19)23-28-22-13-18(16-7-3-1-4-8-16)15-27-24(22)29(23)21-9-5-2-6-10-21/h1,3-5,7-15,23,28H,2,6H2
InChIKeySVZTUMBBEUCITG-UHFFFAOYSA-N
XLogP7.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.25
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 125492451
10-cyclohexa-1,5-dien-1-yl-2-phenyl-5H-phenazine
CID 142508946
9-[4-(3-cyclohepta-1,6-dien-1-yl-2-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-7-yl)phenyl]carbazole;ethene
CID 144769363
2-(3,5-dibromophenyl)-3-phenyl-7-(2-phenylphenyl)-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine
CID 145377261
2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one
CID 145049910
2-(3,5-dibromophenyl)-7-naphthalen-2-yl-3-phenyl-1,2-dihydroimidazo[4,5-b]pyridine
CID 131983213
benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline
CID 145407612
4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole
CID 134550866
1,3-dibromo-5-phenylbenzene
CID 3014933
1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole
CID 166885806
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
5-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-3,8-diphenyl-5a,6-dihydrobenzimidazolo[1,2-a]benzimidazole
CID 129109580

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine (CID 131983327) is 3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine is Brc1cc(Br)cc(C2Nc3cc(-c4ccccc4)cnc3N2C2=CCCC=C2)c1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine?
The InChIKey is SVZTUMBBEUCITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Br2N3/c25-19-11-17(12-20(26)14-19)23-28-22-13-18(16-7-3-1-4-8-16)15-27-24(22)29(23)21-9-5-2-6-10-21/h1,3-5,7-15,23,28H,2,6H2.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine?
3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine has a molecular weight of 509.25 g/mol, XLogP of 7.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-2-(3,5-dibromophenyl)-6-phenyl-1,2-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 131983327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).