4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole

C13H12N2S — CID 60646555

IUPAC4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole
SMILESCc1ccsc1-c1nc2c(C)cccc2[nH]1
InChIInChI=1S/C13H12N2S/c1-8-4-3-5-10-11(8)15-13(14-10)12-9(2)6-7-16-12/h3-7H,1-2H3,(H,14,15)
InChIKeyKFHNOSSROAIHDW-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.91
Rot. Bonds1

About 4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole

4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole (PubChem CID 60646555) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole
PubChem CID60646555
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole
SMILESCc1ccsc1-c1nc2c(C)cccc2[nH]1
InChIInChI=1S/C13H12N2S/c1-8-4-3-5-10-11(8)15-13(14-10)12-9(2)6-7-16-12/h3-7H,1-2H3,(H,14,15)
InChIKeyKFHNOSSROAIHDW-UHFFFAOYSA-N
XLogP3.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole?
The IUPAC name of 4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole (CID 60646555) is 4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole is Cc1ccsc1-c1nc2c(C)cccc2[nH]1.
What is the InChIKey of 4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole?
The InChIKey is KFHNOSSROAIHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-8-4-3-5-10-11(8)15-13(14-10)12-9(2)6-7-16-12/h3-7H,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole?
4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole has a molecular weight of 228.32 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylthiophen-2-yl)-1H-benzimidazole is sourced from PubChem (CID 60646555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).