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

C17H14N6 — CID 118978645

IUPAC5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole
SMILESCc1cc(-n2ccnc2)ccc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H14N6/c1-12-10-15(23-9-8-18-11-23)6-7-16(12)13-2-4-14(5-3-13)17-19-21-22-20-17/h2-11H,1H3,(H,19,20,21,22)
InChIKeyKNZHVSJUUJYJGE-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.03
Rot. Bonds3

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

5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole (PubChem CID 118978645) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole
PubChem CID118978645
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole
SMILESCc1cc(-n2ccnc2)ccc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H14N6/c1-12-10-15(23-9-8-18-11-23)6-7-16(12)13-2-4-14(5-3-13)17-19-21-22-20-17/h2-11H,1H3,(H,19,20,21,22)
InChIKeyKNZHVSJUUJYJGE-UHFFFAOYSA-N
XLogP3.03
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole (CID 118978645) is 5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole is Cc1cc(-n2ccnc2)ccc1-c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole?
The InChIKey is KNZHVSJUUJYJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-12-10-15(23-9-8-18-11-23)6-7-16(12)13-2-4-14(5-3-13)17-19-21-22-20-17/h2-11H,1H3,(H,19,20,21,22).
What are the key properties of 5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole?
5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole has a molecular weight of 302.34 g/mol, XLogP of 3.03, 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-yl-2-methylphenyl)phenyl]-2H-tetrazole is sourced from PubChem (CID 118978645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).