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

C16H12N6 — CID 118978662

IUPAC5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole
SMILESc1cn(-c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)cn1
InChIInChI=1S/C16H12N6/c1-3-14(16-18-20-21-19-16)4-2-12(1)13-5-7-15(8-6-13)22-10-9-17-11-22/h1-11H,(H,18,19,20,21)
InChIKeyOERGRACABVDGFP-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.72
Rot. Bonds3

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

5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole (PubChem CID 118978662) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole
PubChem CID118978662
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole
SMILESc1cn(-c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)cn1
InChIInChI=1S/C16H12N6/c1-3-14(16-18-20-21-19-16)4-2-12(1)13-5-7-15(8-6-13)22-10-9-17-11-22/h1-11H,(H,18,19,20,21)
InChIKeyOERGRACABVDGFP-UHFFFAOYSA-N
XLogP2.72
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole 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 5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole (CID 118978662) is 5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole is c1cn(-c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)cn1.
What is the InChIKey of 5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole?
The InChIKey is OERGRACABVDGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-3-14(16-18-20-21-19-16)4-2-12(1)13-5-7-15(8-6-13)22-10-9-17-11-22/h1-11H,(H,18,19,20,21).
What are the key properties of 5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole?
5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole has a molecular weight of 288.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole is sourced from PubChem (CID 118978662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).