4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole

C13H12N2S — CID 2799872

IUPAC4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole
SMILESCc1ccc2[nH]c(-c3ccsc3)nc2c1C
InChIInChI=1S/C13H12N2S/c1-8-3-4-11-12(9(8)2)15-13(14-11)10-5-6-16-7-10/h3-7H,1-2H3,(H,14,15)
InChIKeyJEVDKQBZSYETET-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.91
Rot. Bonds1

About 4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole

4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole (PubChem CID 2799872) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole.

Molecular Properties

Compound Name4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole
PubChem CID2799872
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole
SMILESCc1ccc2[nH]c(-c3ccsc3)nc2c1C
InChIInChI=1S/C13H12N2S/c1-8-3-4-11-12(9(8)2)15-13(14-11)10-5-6-16-7-10/h3-7H,1-2H3,(H,14,15)
InChIKeyJEVDKQBZSYETET-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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Related Compounds

ethane;2,4,5-trimethyl-1H-benzimidazole
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8-thiophen-3-yl-7H-purine
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4,5-dimethyl-2-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]-1H-benzimidazole;ethane
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4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole
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4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one
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CID 70082198
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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole?
The IUPAC name of 4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole (CID 2799872) is 4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole.
What is the SMILES notation for 4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole?
The canonical SMILES for 4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole is Cc1ccc2[nH]c(-c3ccsc3)nc2c1C.
What is the InChIKey of 4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole?
The InChIKey is JEVDKQBZSYETET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-8-3-4-11-12(9(8)2)15-13(14-11)10-5-6-16-7-10/h3-7H,1-2H3,(H,14,15).
What are the key properties of 4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole?
4,5-dimethyl-2-thiophen-3-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 4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole is sourced from PubChem (CID 2799872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).