5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole

C11H8ClN3S — CID 60978144

IUPAC5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C11H8ClN3S/c1-6-10(16-5-13-6)11-14-8-4-2-3-7(12)9(8)15-11/h2-5H,1H3,(H,14,15)
InChIKeyRYAJFXIYBKLYEP-UHFFFAOYSA-N
MW249.73 g/mol
LogP3.65
Rot. Bonds1

About 5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole

5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole (PubChem CID 60978144) has the molecular formula C11H8ClN3S and a molecular weight of 249.73 g/mol. Its IUPAC name is 5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
PubChem CID60978144
Molecular FormulaC11H8ClN3S
Molecular Weight249.73 g/mol
Exact Mass249.01
IUPAC Name5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1-c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C11H8ClN3S/c1-6-10(16-5-13-6)11-14-8-4-2-3-7(12)9(8)15-11/h2-5H,1H3,(H,14,15)
InChIKeyRYAJFXIYBKLYEP-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
CID 81463558
4-chloro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922109
4-chloro-2-(2,5-dimethylphenyl)-1H-benzimidazole
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4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834
4-methyl-5-(7H-purin-8-yl)-1,3-thiazole
CID 114402555
4-chloro-2-(4-iodophenyl)-1H-benzimidazole
CID 28690808
4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole
CID 60646555
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79822026
3-(4-chloro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928259
4-chloro-2-ethoxy-1H-benzimidazole
CID 69014735

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole (CID 60978144) is 5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole is Cc1ncsc1-c1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole?
The InChIKey is RYAJFXIYBKLYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S/c1-6-10(16-5-13-6)11-14-8-4-2-3-7(12)9(8)15-11/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole?
5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole has a molecular weight of 249.73 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 60978144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).