4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole

C11H9N3S — CID 11535861

IUPAC4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole
SMILESCc1ccc2nc(-c3cscn3)[nH]c2c1
InChIInChI=1S/C11H9N3S/c1-7-2-3-8-9(4-7)14-11(13-8)10-5-15-6-12-10/h2-6H,1H3,(H,13,14)
InChIKeyJFZWYCKQERNEBJ-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.99
Rot. Bonds1

About 4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole

4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole (PubChem CID 11535861) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole
PubChem CID11535861
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole
SMILESCc1ccc2nc(-c3cscn3)[nH]c2c1
InChIInChI=1S/C11H9N3S/c1-7-2-3-8-9(4-7)14-11(13-8)10-5-15-6-12-10/h2-6H,1H3,(H,13,14)
InChIKeyJFZWYCKQERNEBJ-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole (CID 11535861) is 4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole is Cc1ccc2nc(-c3cscn3)[nH]c2c1.
What is the InChIKey of 4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole?
The InChIKey is JFZWYCKQERNEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-7-2-3-8-9(4-7)14-11(13-8)10-5-15-6-12-10/h2-6H,1H3,(H,13,14).
What are the key properties of 4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole?
4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole has a molecular weight of 215.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 11535861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).