5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole

C18H15FN6 — CID 118978811

IUPAC5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole
SMILESCCc1cc(-n2ccnc2)ccc1-c1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C18H15FN6/c1-2-12-9-14(25-8-7-20-11-25)4-6-15(12)16-5-3-13(10-17(16)19)18-21-23-24-22-18/h3-11H,2H2,1H3,(H,21,22,23,24)
InChIKeyQSUYVHWNTSXEGY-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.42
Rot. Bonds4

About 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole

5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole (PubChem CID 118978811) has the molecular formula C18H15FN6 and a molecular weight of 334.36 g/mol. Its IUPAC name is 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole
PubChem CID118978811
Molecular FormulaC18H15FN6
Molecular Weight334.36 g/mol
Exact Mass334.13
IUPAC Name5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole
SMILESCCc1cc(-n2ccnc2)ccc1-c1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C18H15FN6/c1-2-12-9-14(25-8-7-20-11-25)4-6-15(12)16-5-3-13(10-17(16)19)18-21-23-24-22-18/h3-11H,2H2,1H3,(H,21,22,23,24)
InChIKeyQSUYVHWNTSXEGY-UHFFFAOYSA-N
XLogP3.42
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole?
The IUPAC name of 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole (CID 118978811) is 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole is CCc1cc(-n2ccnc2)ccc1-c1ccc(-c2nn[nH]n2)cc1F.
What is the InChIKey of 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole?
The InChIKey is QSUYVHWNTSXEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6/c1-2-12-9-14(25-8-7-20-11-25)4-6-15(12)16-5-3-13(10-17(16)19)18-21-23-24-22-18/h3-11H,2H2,1H3,(H,21,22,23,24).
What are the key properties of 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole?
5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole has a molecular weight of 334.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole is sourced from PubChem (CID 118978811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).