1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride

C15H9Cl2N2S- — CID 21178978

IUPAC1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride
SMILESClc1ccc(-c2csc3nc4ccccc4n23)cc1.[Cl-]
InChIInChI=1S/C15H9ClN2S.ClH/c16-11-7-5-10(6-8-11)14-9-19-15-17-12-3-1-2-4-13(12)18(14)15;/h1-9H;1H/p-1
InChIKeyPYFHJWRTAMAKEF-UHFFFAOYSA-M
MW320.22 g/mol
LogP1.87
Rot. Bonds1

About 1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride

1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride (PubChem CID 21178978) has the molecular formula C15H9Cl2N2S- and a molecular weight of 320.22 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride
PubChem CID21178978
Molecular FormulaC15H9Cl2N2S-
Molecular Weight320.22 g/mol
Exact Mass318.99
IUPAC Name1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride
SMILESClc1ccc(-c2csc3nc4ccccc4n23)cc1.[Cl-]
InChIInChI=1S/C15H9ClN2S.ClH/c16-11-7-5-10(6-8-11)14-9-19-15-17-12-3-1-2-4-13(12)18(14)15;/h1-9H;1H/p-1
InChIKeyPYFHJWRTAMAKEF-UHFFFAOYSA-M
XLogP1.87
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)phenyl]propanoic acid
CID 54018589
1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
CID 56696528
3-phenyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 3569212
3-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198944
3-(4-chlorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 117097244
3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068413
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466
1-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)propan-2-amine
CID 82022987
1-chloro-[1,2,4]thiadiazolo[4,5-a]benzimidazole
CID 23303029
4-(4-chlorophenyl)pyrimido[2,1-b][1,3]benzothiazol-2-one
CID 70494305
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
3-(4-chlorophenyl)-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
CID 46193160

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride?
The IUPAC name of 1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride (CID 21178978) is 1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride.
What is the SMILES notation for 1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride?
The canonical SMILES for 1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride is Clc1ccc(-c2csc3nc4ccccc4n23)cc1.[Cl-].
What is the InChIKey of 1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride?
The InChIKey is PYFHJWRTAMAKEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H9ClN2S.ClH/c16-11-7-5-10(6-8-11)14-9-19-15-17-12-3-1-2-4-13(12)18(14)15;/h1-9H;1H/p-1.
What are the key properties of 1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride?
1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride has a molecular weight of 320.22 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride is sourced from PubChem (CID 21178978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).