1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole

C19H16N2S — CID 949117

IUPAC1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole
SMILESc1ccc(CCn2c(-c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C19H16N2S/c1-2-7-15(8-3-1)12-13-21-17-10-5-4-9-16(17)20-19(21)18-11-6-14-22-18/h1-11,14H,12-13H2
InChIKeyXGXCVEICUOARIK-UHFFFAOYSA-N
MW304.42 g/mol
LogP5.01
Rot. Bonds4

About 1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole

1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole (PubChem CID 949117) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole
PubChem CID949117
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole
SMILESc1ccc(CCn2c(-c3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C19H16N2S/c1-2-7-15(8-3-1)12-13-21-17-10-5-4-9-16(17)20-19(21)18-11-6-14-22-18/h1-11,14H,12-13H2
InChIKeyXGXCVEICUOARIK-UHFFFAOYSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole (CID 949117) is 1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole is c1ccc(CCn2c(-c3cccs3)nc3ccccc32)cc1.
What is the InChIKey of 1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole?
The InChIKey is XGXCVEICUOARIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-2-7-15(8-3-1)12-13-21-17-10-5-4-9-16(17)20-19(21)18-11-6-14-22-18/h1-11,14H,12-13H2.
What are the key properties of 1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole?
1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole has a molecular weight of 304.42 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 949117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).