5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole

C19H16FN5 — CID 70990590

IUPAC5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole
SMILESCCc1c(C2=NC(c3ccccc3)=NC2)nnn1-c1ccccc1F
InChIInChI=1S/C19H16FN5/c1-2-16-18(23-24-25(16)17-11-7-6-10-14(17)20)15-12-21-19(22-15)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyJMLPIALQECHNFH-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.22
Rot. Bonds4

About 5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole

5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole (PubChem CID 70990590) has the molecular formula C19H16FN5 and a molecular weight of 333.37 g/mol. Its IUPAC name is 5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole.

Molecular Properties

Compound Name5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole
PubChem CID70990590
Molecular FormulaC19H16FN5
Molecular Weight333.37 g/mol
Exact Mass333.14
IUPAC Name5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole
SMILESCCc1c(C2=NC(c3ccccc3)=NC2)nnn1-c1ccccc1F
InChIInChI=1S/C19H16FN5/c1-2-16-18(23-24-25(16)17-11-7-6-10-14(17)20)15-12-21-19(22-15)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyJMLPIALQECHNFH-UHFFFAOYSA-N
XLogP3.22
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole?
The IUPAC name of 5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole (CID 70990590) is 5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole.
What is the SMILES notation for 5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole?
The canonical SMILES for 5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole is CCc1c(C2=NC(c3ccccc3)=NC2)nnn1-c1ccccc1F.
What is the InChIKey of 5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole?
The InChIKey is JMLPIALQECHNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5/c1-2-16-18(23-24-25(16)17-11-7-6-10-14(17)20)15-12-21-19(22-15)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole?
5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole has a molecular weight of 333.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-fluorophenyl)-4-(2-phenyl-4H-imidazol-5-yl)triazole is sourced from PubChem (CID 70990590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).