1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole

C20H16N2S — CID 17000270

IUPAC1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
SMILESC(=C/c1ccccc1)\Cn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C20H16N2S/c1-2-8-16(9-3-1)10-6-14-22-18-12-5-4-11-17(18)21-20(22)19-13-7-15-23-19/h1-13,15H,14H2/b10-6+
InChIKeyGZHOYXBTGOEVSV-UXBLZVDNSA-N
MW316.43 g/mol
LogP5.48
Rot. Bonds4

About 1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole

1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole (PubChem CID 17000270) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
PubChem CID17000270
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
SMILESC(=C/c1ccccc1)\Cn1c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C20H16N2S/c1-2-8-16(9-3-1)10-6-14-22-18-12-5-4-11-17(18)21-20(22)19-13-7-15-23-19/h1-13,15H,14H2/b10-6+
InChIKeyGZHOYXBTGOEVSV-UXBLZVDNSA-N
XLogP5.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole (CID 17000270) is 1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole is C(=C/c1ccccc1)\Cn1c(-c2cccs2)nc2ccccc21.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole?
The InChIKey is GZHOYXBTGOEVSV-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H16N2S/c1-2-8-16(9-3-1)10-6-14-22-18-12-5-4-11-17(18)21-20(22)19-13-7-15-23-19/h1-13,15H,14H2/b10-6+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole?
1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole has a molecular weight of 316.43 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole is sourced from PubChem (CID 17000270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).