2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide

C15H9BrFN2S- — CID 21203133

IUPAC2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide
SMILESFc1ccc(-c2cn3c(nc4ccccc43)s2)cc1.[Br-]
InChIInChI=1S/C15H9FN2S.BrH/c16-11-7-5-10(6-8-11)14-9-18-13-4-2-1-3-12(13)17-15(18)19-14;/h1-9H;1H/p-1
InChIKeyKVUZTAXERHMQBA-UHFFFAOYSA-M
MW348.22 g/mol
LogP1.36
Rot. Bonds1

About 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide

2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide (PubChem CID 21203133) has the molecular formula C15H9BrFN2S- and a molecular weight of 348.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide
PubChem CID21203133
Molecular FormulaC15H9BrFN2S-
Molecular Weight348.22 g/mol
Exact Mass346.97
IUPAC Name2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide
SMILESFc1ccc(-c2cn3c(nc4ccccc43)s2)cc1.[Br-]
InChIInChI=1S/C15H9FN2S.BrH/c16-11-7-5-10(6-8-11)14-9-18-13-4-2-1-3-12(13)17-15(18)19-14;/h1-9H;1H/p-1
InChIKeyKVUZTAXERHMQBA-UHFFFAOYSA-M
XLogP1.36
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-[1,3]thiazolo[3,2-a]benzimidazole
CID 4694439
2-fluoropyrido[1,2-a]benzimidazole
CID 125485836
2-(4-fluorophenyl)-N-methylimidazo[1,2-a]quinoxalin-4-amine
CID 67548041
1-[5-(4-fluorophenyl)thiophen-2-yl]benzimidazole
CID 171782138
2-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;2-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole
CID 158995824
6-(2,5-difluorophenyl)-2-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82367774
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
2-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-1-(3,5-difluorophenyl)benzimidazole
CID 155173980
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
2-(4-fluorophenyl)-8-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209694

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide?
The IUPAC name of 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide (CID 21203133) is 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide.
What is the SMILES notation for 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide?
The canonical SMILES for 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide is Fc1ccc(-c2cn3c(nc4ccccc43)s2)cc1.[Br-].
What is the InChIKey of 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide?
The InChIKey is KVUZTAXERHMQBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H9FN2S.BrH/c16-11-7-5-10(6-8-11)14-9-18-13-4-2-1-3-12(13)17-15(18)19-14;/h1-9H;1H/p-1.
What are the key properties of 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide?
2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide has a molecular weight of 348.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole bromide is sourced from PubChem (CID 21203133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).