5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole

C18H19BrN4 — CID 7490330

IUPAC5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
SMILESCC(C)(C)c1ccc(Cn2nnc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C18H19BrN4/c1-18(2,3)15-8-4-13(5-9-15)12-23-21-17(20-22-23)14-6-10-16(19)11-7-14/h4-11H,12H2,1-3H3
InChIKeyPPOUZYKPEKBYOT-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.45
Rot. Bonds3

About 5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole

5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole (PubChem CID 7490330) has the molecular formula C18H19BrN4 and a molecular weight of 371.28 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
PubChem CID7490330
Molecular FormulaC18H19BrN4
Molecular Weight371.28 g/mol
Exact Mass370.08
IUPAC Name5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
SMILESCC(C)(C)c1ccc(Cn2nnc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C18H19BrN4/c1-18(2,3)15-8-4-13(5-9-15)12-23-21-17(20-22-23)14-6-10-16(19)11-7-14/h4-11H,12H2,1-3H3
InChIKeyPPOUZYKPEKBYOT-UHFFFAOYSA-N
XLogP4.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole?
The IUPAC name of 5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole (CID 7490330) is 5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole?
The canonical SMILES for 5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole is CC(C)(C)c1ccc(Cn2nnc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole?
The InChIKey is PPOUZYKPEKBYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4/c1-18(2,3)15-8-4-13(5-9-15)12-23-21-17(20-22-23)14-6-10-16(19)11-7-14/h4-11H,12H2,1-3H3.
What are the key properties of 5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole?
5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole has a molecular weight of 371.28 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole is sourced from PubChem (CID 7490330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).