5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole

C16H11FN6 — CID 118978837

IUPAC5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole
SMILESFc1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H11FN6/c17-15-9-12(16-19-21-22-20-16)3-6-14(15)11-1-4-13(5-2-11)23-8-7-18-10-23/h1-10H,(H,19,20,21,22)
InChIKeyNCRDZUNZDSBCKJ-UHFFFAOYSA-N
MW306.30 g/mol
LogP2.86
Rot. Bonds3

About 5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole

5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole (PubChem CID 118978837) has the molecular formula C16H11FN6 and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole
PubChem CID118978837
Molecular FormulaC16H11FN6
Molecular Weight306.30 g/mol
Exact Mass306.10
IUPAC Name5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole
SMILESFc1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H11FN6/c17-15-9-12(16-19-21-22-20-16)3-6-14(15)11-1-4-13(5-2-11)23-8-7-18-10-23/h1-10H,(H,19,20,21,22)
InChIKeyNCRDZUNZDSBCKJ-UHFFFAOYSA-N
XLogP2.86
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole (CID 118978837) is 5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole is Fc1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole?
The InChIKey is NCRDZUNZDSBCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6/c17-15-9-12(16-19-21-22-20-16)3-6-14(15)11-1-4-13(5-2-11)23-8-7-18-10-23/h1-10H,(H,19,20,21,22).
What are the key properties of 5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole?
5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole has a molecular weight of 306.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole is sourced from PubChem (CID 118978837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).