2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole

C16H12N2S2 — CID 888560

IUPAC2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole
SMILESc1csc(Cn2c(-c3cccs3)nc3ccccc32)c1
InChIInChI=1S/C16H12N2S2/c1-2-7-14-13(6-1)17-16(15-8-4-10-20-15)18(14)11-12-5-3-9-19-12/h1-10H,11H2
InChIKeyMGYSLLZLRSVTRM-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.87
Rot. Bonds3

About 2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole

2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole (PubChem CID 888560) has the molecular formula C16H12N2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole
PubChem CID888560
Molecular FormulaC16H12N2S2
Molecular Weight296.42 g/mol
Exact Mass296.04
IUPAC Name2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole
SMILESc1csc(Cn2c(-c3cccs3)nc3ccccc32)c1
InChIInChI=1S/C16H12N2S2/c1-2-7-14-13(6-1)17-16(15-8-4-10-20-15)18(14)11-12-5-3-9-19-12/h1-10H,11H2
InChIKeyMGYSLLZLRSVTRM-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2-thienyl)-1H-benzimidazole
CID 870214
2-(2-thienyl)-1H-benzimidazole
CID 506600
FR117016
CID 447339
Agl 2043
CID 9817165
1-Methyl-2-thiophen-2-ylbenzimidazole
CID 931177
1-[[1-(2-Methylsulfanylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272015
n-Methylthiabendazole
CID 612049
1-Isopropyl-2-thiophen-2-yl-1H-benzoimidazole
CID 949166
(1-Phenyl-1H-benzoimidazol-5-yl)-thiophen-2-ylmethyl-amine
CID 950037
3-(2-Methoxyethyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 1947381
3-(3-Methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 2001972
1,3-dimethyl-2-(thiophen-2-yl)-1H-benzo[d]imidazol-3-ium chloride
CID 2866315

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole?
The IUPAC name of 2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole (CID 888560) is 2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole.
What is the SMILES notation for 2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole?
The canonical SMILES for 2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole is c1csc(Cn2c(-c3cccs3)nc3ccccc32)c1.
What is the InChIKey of 2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole?
The InChIKey is MGYSLLZLRSVTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S2/c1-2-7-14-13(6-1)17-16(15-8-4-10-20-15)18(14)11-12-5-3-9-19-12/h1-10H,11H2.
What are the key properties of 2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole?
2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole has a molecular weight of 296.42 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-(thiophen-2-ylmethyl)benzimidazole is sourced from PubChem (CID 888560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).