1-ethyl-2-thiophen-2-ylbenzimidazole

C13H12N2S — CID 931431

IUPAC1-ethyl-2-thiophen-2-ylbenzimidazole
SMILESCCn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C13H12N2S/c1-2-15-11-7-4-3-6-10(11)14-13(15)12-8-5-9-16-12/h3-9H,2H2,1H3
InChIKeyMODUAZNRGDRCNF-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.78
Rot. Bonds2

About 1-ethyl-2-thiophen-2-ylbenzimidazole

1-ethyl-2-thiophen-2-ylbenzimidazole (PubChem CID 931431) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-ethyl-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-2-thiophen-2-ylbenzimidazole
PubChem CID931431
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name1-ethyl-2-thiophen-2-ylbenzimidazole
SMILESCCn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C13H12N2S/c1-2-15-11-7-4-3-6-10(11)14-13(15)12-8-5-9-16-12/h3-9H,2H2,1H3
InChIKeyMODUAZNRGDRCNF-UHFFFAOYSA-N
XLogP3.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-ethyl-2-thiophen-2-ylbenzimidazole (CID 931431) is 1-ethyl-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-ethyl-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-ethyl-2-thiophen-2-ylbenzimidazole is CCn1c(-c2cccs2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-thiophen-2-ylbenzimidazole?
The InChIKey is MODUAZNRGDRCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-2-15-11-7-4-3-6-10(11)14-13(15)12-8-5-9-16-12/h3-9H,2H2,1H3.
What are the key properties of 1-ethyl-2-thiophen-2-ylbenzimidazole?
1-ethyl-2-thiophen-2-ylbenzimidazole has a molecular weight of 228.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 931431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).