5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole

C18H16N6S — CID 17453452

IUPAC5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-n1nnnc1SCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16N6S/c1-14-4-2-3-5-17(14)24-18(20-21-22-24)25-12-15-6-8-16(9-7-15)23-11-10-19-13-23/h2-11,13H,12H2,1H3
InChIKeyZHQZJOCNJTZMKG-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.45
Rot. Bonds5

About 5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole

5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole (PubChem CID 17453452) has the molecular formula C18H16N6S and a molecular weight of 348.44 g/mol. Its IUPAC name is 5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
PubChem CID17453452
Molecular FormulaC18H16N6S
Molecular Weight348.44 g/mol
Exact Mass348.12
IUPAC Name5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
SMILESCc1ccccc1-n1nnnc1SCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16N6S/c1-14-4-2-3-5-17(14)24-18(20-21-22-24)25-12-15-6-8-16(9-7-15)23-11-10-19-13-23/h2-11,13H,12H2,1H3
InChIKeyZHQZJOCNJTZMKG-UHFFFAOYSA-N
XLogP3.45
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)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

1-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]tetrazole
CID 17449443
5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 16508726
1-(2-methylphenyl)-5-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]tetrazole
CID 16508779
2-[(4-imidazol-1-ylphenyl)methylsulfanyl]-6-methylaniline
CID 79130354
1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 112801173
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121
5-[2-(4-methoxyphenyl)ethylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 8685909
5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
5-[(2,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 2390682
5-[(4-bromophenyl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole
CID 598194
5-[(4-chlorophenyl)methylsulfanyl]-1-(2,4-dimethylphenyl)tetrazole
CID 2485632
N-[(4-ethylphenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8577219

Frequently Asked Questions

What is the IUPAC name of 5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The IUPAC name of 5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole (CID 17453452) is 5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole.
What is the SMILES notation for 5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The canonical SMILES for 5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole is Cc1ccccc1-n1nnnc1SCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
The InChIKey is ZHQZJOCNJTZMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S/c1-14-4-2-3-5-17(14)24-18(20-21-22-24)25-12-15-6-8-16(9-7-15)23-11-10-19-13-23/h2-11,13H,12H2,1H3.
What are the key properties of 5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole?
5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole has a molecular weight of 348.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-imidazol-1-ylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole is sourced from PubChem (CID 17453452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).