5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole

C23H22N4 — CID 57273245

IUPAC5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole
SMILESCc1ccc(-c2ccccc2-c2nnn(CCCc3ccccc3)n2)cc1
InChIInChI=1S/C23H22N4/c1-18-13-15-20(16-14-18)21-11-5-6-12-22(21)23-24-26-27(25-23)17-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-16H,7,10,17H2,1H3
InChIKeyAVXOFXSLOLWQJS-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.95
Rot. Bonds6

About 5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole

5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole (PubChem CID 57273245) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole
PubChem CID57273245
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole
SMILESCc1ccc(-c2ccccc2-c2nnn(CCCc3ccccc3)n2)cc1
InChIInChI=1S/C23H22N4/c1-18-13-15-20(16-14-18)21-11-5-6-12-22(21)23-24-26-27(25-23)17-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-16H,7,10,17H2,1H3
InChIKeyAVXOFXSLOLWQJS-UHFFFAOYSA-N
XLogP4.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole with MolForge

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

Launch Full Analysis

Related Compounds

5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole
CID 56974037
5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole
CID 8685521
5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole
CID 10546069
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine
CID 121005664
5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole
CID 7702797
5-(4-methylphenyl)-1-(3-phenylpropyl)triazole-4-carbonitrile
CID 82208924
5-(4-methylphenyl)-1-(3-phenylpropyl)triazole-4-carbaldehyde
CID 82208925
2-[5-(2-aminophenyl)tetrazol-2-yl]ethanol
CID 135371573
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
5-methyl-1-[4-(4-methylphenyl)butyl]tetrazole;5-methyl-2-[4-(4-methylphenyl)butyl]tetrazole
CID 163989935
4-[5-(4-phenylphenyl)tetrazol-2-yl]butanenitrile
CID 10755867

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole?
The IUPAC name of 5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole (CID 57273245) is 5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole.
What is the SMILES notation for 5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole?
The canonical SMILES for 5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole is Cc1ccc(-c2ccccc2-c2nnn(CCCc3ccccc3)n2)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole?
The InChIKey is AVXOFXSLOLWQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-18-13-15-20(16-14-18)21-11-5-6-12-22(21)23-24-26-27(25-23)17-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-16H,7,10,17H2,1H3.
What are the key properties of 5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole?
5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole has a molecular weight of 354.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole is sourced from PubChem (CID 57273245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).