3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile

C12H8FN7 — CID 135463043

IUPAC3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile
SMILESCc1cnc(-c2nnn(-c3cc(F)cc(C#N)c3)n2)[nH]1
InChIInChI=1S/C12H8FN7/c1-7-6-15-11(16-7)12-17-19-20(18-12)10-3-8(5-14)2-9(13)4-10/h2-4,6H,1H3,(H,15,16)
InChIKeyBKGULEDZLIMLMY-UHFFFAOYSA-N
MW269.24 g/mol
LogP1.37
Rot. Bonds2

About 3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile

3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile (PubChem CID 135463043) has the molecular formula C12H8FN7 and a molecular weight of 269.24 g/mol. Its IUPAC name is 3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile
PubChem CID135463043
Molecular FormulaC12H8FN7
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile
SMILESCc1cnc(-c2nnn(-c3cc(F)cc(C#N)c3)n2)[nH]1
InChIInChI=1S/C12H8FN7/c1-7-6-15-11(16-7)12-17-19-20(18-12)10-3-8(5-14)2-9(13)4-10/h2-4,6H,1H3,(H,15,16)
InChIKeyBKGULEDZLIMLMY-UHFFFAOYSA-N
XLogP1.37
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile?
The IUPAC name of 3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile (CID 135463043) is 3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile?
The canonical SMILES for 3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile is Cc1cnc(-c2nnn(-c3cc(F)cc(C#N)c3)n2)[nH]1.
What is the InChIKey of 3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile?
The InChIKey is BKGULEDZLIMLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN7/c1-7-6-15-11(16-7)12-17-19-20(18-12)10-3-8(5-14)2-9(13)4-10/h2-4,6H,1H3,(H,15,16).
What are the key properties of 3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile?
3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile has a molecular weight of 269.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[5-(5-methyl-1H-imidazol-2-yl)tetrazol-2-yl]benzonitrile is sourced from PubChem (CID 135463043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).