4-methyl-2-thiophen-2-yl-1H-benzimidazole

C12H10N2S — CID 60646299

IUPAC4-methyl-2-thiophen-2-yl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C12H10N2S/c1-8-4-2-5-9-11(8)14-12(13-9)10-6-3-7-15-10/h2-7H,1H3,(H,13,14)
InChIKeyHDFAIKXKWYKGLP-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.60
Rot. Bonds1

About 4-methyl-2-thiophen-2-yl-1H-benzimidazole

4-methyl-2-thiophen-2-yl-1H-benzimidazole (PubChem CID 60646299) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-methyl-2-thiophen-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-thiophen-2-yl-1H-benzimidazole
PubChem CID60646299
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name4-methyl-2-thiophen-2-yl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C12H10N2S/c1-8-4-2-5-9-11(8)14-12(13-9)10-6-3-7-15-10/h2-7H,1H3,(H,13,14)
InChIKeyHDFAIKXKWYKGLP-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-thiophen-2-yl-1H-benzimidazole?
The IUPAC name of 4-methyl-2-thiophen-2-yl-1H-benzimidazole (CID 60646299) is 4-methyl-2-thiophen-2-yl-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-thiophen-2-yl-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-thiophen-2-yl-1H-benzimidazole is Cc1cccc2[nH]c(-c3cccs3)nc12.
What is the InChIKey of 4-methyl-2-thiophen-2-yl-1H-benzimidazole?
The InChIKey is HDFAIKXKWYKGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-8-4-2-5-9-11(8)14-12(13-9)10-6-3-7-15-10/h2-7H,1H3,(H,13,14).
What are the key properties of 4-methyl-2-thiophen-2-yl-1H-benzimidazole?
4-methyl-2-thiophen-2-yl-1H-benzimidazole has a molecular weight of 214.29 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-thiophen-2-yl-1H-benzimidazole is sourced from PubChem (CID 60646299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).