3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine

C23H18BrN3S — CID 101028744

IUPAC3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine
SMILESBrc1ccc(N2CSc3nc(-c4ccccc4)c(-c4ccccc4)n3C2)cc1
InChIInChI=1S/C23H18BrN3S/c24-19-11-13-20(14-12-19)26-15-27-22(18-9-5-2-6-10-18)21(25-23(27)28-16-26)17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKeyPZXDMZIOVYTFKJ-UHFFFAOYSA-N
MW448.39 g/mol
LogP6.51
Rot. Bonds3

About 3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine

3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine (PubChem CID 101028744) has the molecular formula C23H18BrN3S and a molecular weight of 448.39 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine
PubChem CID101028744
Molecular FormulaC23H18BrN3S
Molecular Weight448.39 g/mol
Exact Mass447.04
IUPAC Name3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine
SMILESBrc1ccc(N2CSc3nc(-c4ccccc4)c(-c4ccccc4)n3C2)cc1
InChIInChI=1S/C23H18BrN3S/c24-19-11-13-20(14-12-19)26-15-27-22(18-9-5-2-6-10-18)21(25-23(27)28-16-26)17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKeyPZXDMZIOVYTFKJ-UHFFFAOYSA-N
XLogP6.51
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.39
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-8-(4-chlorophenyl)-6-oxo-2,4-dihydropyrimido[2,1-b][1,3,5]thiadiazine-7-carbonitrile
CID 50900017
1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850
6,7-diphenyl-3-[phenyl(7H-purin-8-yl)methyl]-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine
CID 171115771
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole
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1,2-bis(4-bromophenyl)-4-phenyl-1,2,4-triazolidine
CID 162352101
2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
CID 11825610
2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole
CID 3509542
2-(4-bromophenyl)-1-phenylimidazo[1,2-a]quinoline
CID 177296975
4-(4-bromophenyl)sulfonyl-1,3,5-triphenylpyrazole
CID 15359160
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
(5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol
CID 40648484
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine?
The IUPAC name of 3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine (CID 101028744) is 3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine.
What is the SMILES notation for 3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine?
The canonical SMILES for 3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine is Brc1ccc(N2CSc3nc(-c4ccccc4)c(-c4ccccc4)n3C2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine?
The InChIKey is PZXDMZIOVYTFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3S/c24-19-11-13-20(14-12-19)26-15-27-22(18-9-5-2-6-10-18)21(25-23(27)28-16-26)17-7-3-1-4-8-17/h1-14H,15-16H2.
What are the key properties of 3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine?
3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine has a molecular weight of 448.39 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine is sourced from PubChem (CID 101028744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).