3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole

C16H12N2S — CID 14011832

IUPAC3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole
SMILESCn1c(-c2cccs2)nc2c3ccccc3ccc21
InChIInChI=1S/C16H12N2S/c1-18-13-9-8-11-5-2-3-6-12(11)15(13)17-16(18)14-7-4-10-19-14/h2-10H,1H3
InChIKeyJXAFTEFQPOKJDI-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.45
Rot. Bonds1

About 3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole

3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole (PubChem CID 14011832) has the molecular formula C16H12N2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole.

Molecular Properties

Compound Name3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole
PubChem CID14011832
Molecular FormulaC16H12N2S
Molecular Weight264.35 g/mol
Exact Mass264.07
IUPAC Name3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole
SMILESCn1c(-c2cccs2)nc2c3ccccc3ccc21
InChIInChI=1S/C16H12N2S/c1-18-13-9-8-11-5-2-3-6-12(11)15(13)17-16(18)14-7-4-10-19-14/h2-10H,1H3
InChIKeyJXAFTEFQPOKJDI-UHFFFAOYSA-N
XLogP4.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole?
The IUPAC name of 3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole (CID 14011832) is 3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole.
What is the SMILES notation for 3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole?
The canonical SMILES for 3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole is Cn1c(-c2cccs2)nc2c3ccccc3ccc21.
What is the InChIKey of 3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole?
The InChIKey is JXAFTEFQPOKJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S/c1-18-13-9-8-11-5-2-3-6-12(11)15(13)17-16(18)14-7-4-10-19-14/h2-10H,1H3.
What are the key properties of 3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole?
3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole has a molecular weight of 264.35 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-thiophen-2-ylbenzo[e]benzimidazole is sourced from PubChem (CID 14011832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).