6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole

C13H12N2S — CID 60978374

IUPAC6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
SMILESCc1ccc2nc(Cc3cccs3)[nH]c2c1
InChIInChI=1S/C13H12N2S/c1-9-4-5-11-12(7-9)15-13(14-11)8-10-3-2-6-16-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyUEBTUULCRBZHHH-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.52
Rot. Bonds2

About 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole

6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole (PubChem CID 60978374) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
PubChem CID60978374
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
SMILESCc1ccc2nc(Cc3cccs3)[nH]c2c1
InChIInChI=1S/C13H12N2S/c1-9-4-5-11-12(7-9)15-13(14-11)8-10-3-2-6-16-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyUEBTUULCRBZHHH-UHFFFAOYSA-N
XLogP3.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole (CID 60978374) is 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole is Cc1ccc2nc(Cc3cccs3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
The InChIKey is UEBTUULCRBZHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-9-4-5-11-12(7-9)15-13(14-11)8-10-3-2-6-16-10/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole has a molecular weight of 228.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 60978374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).