5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole

C23H30N4 — CID 3739683

IUPAC5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole
SMILESCC(C)(C)c1ccc(Cn2nnc(Cc3cccc(C(C)(C)C)c3)n2)cc1
InChIInChI=1S/C23H30N4/c1-22(2,3)19-12-10-17(11-13-19)16-27-25-21(24-26-27)15-18-8-7-9-20(14-18)23(4,5)6/h7-14H,15-16H2,1-6H3
InChIKeyKTEQDJFNZPTRFS-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.91
Rot. Bonds4

About 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole

5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole (PubChem CID 3739683) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole
PubChem CID3739683
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC Name5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole
SMILESCC(C)(C)c1ccc(Cn2nnc(Cc3cccc(C(C)(C)C)c3)n2)cc1
InChIInChI=1S/C23H30N4/c1-22(2,3)19-12-10-17(11-13-19)16-27-25-21(24-26-27)15-18-8-7-9-20(14-18)23(4,5)6/h7-14H,15-16H2,1-6H3
InChIKeyKTEQDJFNZPTRFS-UHFFFAOYSA-N
XLogP4.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]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-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole?
The IUPAC name of 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole (CID 3739683) is 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole?
The canonical SMILES for 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole is CC(C)(C)c1ccc(Cn2nnc(Cc3cccc(C(C)(C)C)c3)n2)cc1.
What is the InChIKey of 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole?
The InChIKey is KTEQDJFNZPTRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4/c1-22(2,3)19-12-10-17(11-13-19)16-27-25-21(24-26-27)15-18-8-7-9-20(14-18)23(4,5)6/h7-14H,15-16H2,1-6H3.
What are the key properties of 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole?
5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole has a molecular weight of 362.52 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-tert-butylphenyl)methyl]-2-[(4-tert-butylphenyl)methyl]tetrazole is sourced from PubChem (CID 3739683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).