3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine

C17H14FN7 — CID 118978805

IUPAC3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
SMILESCCc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C17H14FN7/c1-2-11-7-13(25-6-5-19-10-25)9-20-16(11)14-4-3-12(8-15(14)18)17-21-23-24-22-17/h3-10H,2H2,1H3,(H,21,22,23,24)
InChIKeySGKZKTCGVQYGTO-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.82
Rot. Bonds4

About 3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine

3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine (PubChem CID 118978805) has the molecular formula C17H14FN7 and a molecular weight of 335.35 g/mol. Its IUPAC name is 3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine.

Molecular Properties

Compound Name3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
PubChem CID118978805
Molecular FormulaC17H14FN7
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine
SMILESCCc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1F
InChIInChI=1S/C17H14FN7/c1-2-11-7-13(25-6-5-19-10-25)9-20-16(11)14-4-3-12(8-15(14)18)17-21-23-24-22-17/h3-10H,2H2,1H3,(H,21,22,23,24)
InChIKeySGKZKTCGVQYGTO-UHFFFAOYSA-N
XLogP2.82
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine?
The IUPAC name of 3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine (CID 118978805) is 3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine.
What is the SMILES notation for 3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine?
The canonical SMILES for 3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine is CCc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1F.
What is the InChIKey of 3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine?
The InChIKey is SGKZKTCGVQYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7/c1-2-11-7-13(25-6-5-19-10-25)9-20-16(11)14-4-3-12(8-15(14)18)17-21-23-24-22-17/h3-10H,2H2,1H3,(H,21,22,23,24).
What are the key properties of 3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine?
3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine has a molecular weight of 335.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]-5-imidazol-1-ylpyridine is sourced from PubChem (CID 118978805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).