5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole

C21H20F3N3 — CID 176715744

IUPAC5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole
SMILESC=C(c1ccc2c(c1)ncn2-c1cccc(C(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C21H20F3N3/c1-15(26-10-3-2-4-11-26)16-8-9-20-19(12-16)25-14-27(20)18-7-5-6-17(13-18)21(22,23)24/h5-9,12-14H,1-4,10-11H2
InChIKeyJSIJJVJJGTXLMA-UHFFFAOYSA-N
MW371.41 g/mol
LogP5.50
Rot. Bonds3

About 5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole

5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole (PubChem CID 176715744) has the molecular formula C21H20F3N3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole.

Molecular Properties

Compound Name5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole
PubChem CID176715744
Molecular FormulaC21H20F3N3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole
SMILESC=C(c1ccc2c(c1)ncn2-c1cccc(C(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C21H20F3N3/c1-15(26-10-3-2-4-11-26)16-8-9-20-19(12-16)25-14-27(20)18-7-5-6-17(13-18)21(22,23)24/h5-9,12-14H,1-4,10-11H2
InChIKeyJSIJJVJJGTXLMA-UHFFFAOYSA-N
XLogP5.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.41
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole?
The IUPAC name of 5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole (CID 176715744) is 5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole.
What is the SMILES notation for 5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole?
The canonical SMILES for 5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole is C=C(c1ccc2c(c1)ncn2-c1cccc(C(F)(F)F)c1)N1CCCCC1.
What is the InChIKey of 5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole?
The InChIKey is JSIJJVJJGTXLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3/c1-15(26-10-3-2-4-11-26)16-8-9-20-19(12-16)25-14-27(20)18-7-5-6-17(13-18)21(22,23)24/h5-9,12-14H,1-4,10-11H2.
What are the key properties of 5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole?
5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole has a molecular weight of 371.41 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole is sourced from PubChem (CID 176715744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).