5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole

C14H16N6S — CID 56886295

IUPAC5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole
SMILESCSc1ccc(-c2nccn2CCCc2nn[nH]n2)cc1
InChIInChI=1S/C14H16N6S/c1-21-12-6-4-11(5-7-12)14-15-8-10-20(14)9-2-3-13-16-18-19-17-13/h4-8,10H,2-3,9H2,1H3,(H,16,17,18,19)
InChIKeySEZLQBZHNGBZBB-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.42
Rot. Bonds6

About 5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole

5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole (PubChem CID 56886295) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole
PubChem CID56886295
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole
SMILESCSc1ccc(-c2nccn2CCCc2nn[nH]n2)cc1
InChIInChI=1S/C14H16N6S/c1-21-12-6-4-11(5-7-12)14-15-8-10-20(14)9-2-3-13-16-18-19-17-13/h4-8,10H,2-3,9H2,1H3,(H,16,17,18,19)
InChIKeySEZLQBZHNGBZBB-UHFFFAOYSA-N
XLogP2.42
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine
CID 11336787
1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole
CID 165425245
5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole
CID 95724185
ethyl 6-methyl-3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine-5-carboxylate
CID 11314134
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989
4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
CID 82559228
5-[3-[5-(1H-imidazol-2-yl)-4-phenylimidazol-1-yl]propyl]-2H-tetrazole
CID 50975704
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline
CID 103002374
4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline
CID 65175561
5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
2-(4-iodophenyl)-1-(4,4,4-trifluorobutyl)imidazole
CID 113327565

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole?
The IUPAC name of 5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole (CID 56886295) is 5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole is CSc1ccc(-c2nccn2CCCc2nn[nH]n2)cc1.
What is the InChIKey of 5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole?
The InChIKey is SEZLQBZHNGBZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-21-12-6-4-11(5-7-12)14-15-8-10-20(14)9-2-3-13-16-18-19-17-13/h4-8,10H,2-3,9H2,1H3,(H,16,17,18,19).
What are the key properties of 5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole?
5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole has a molecular weight of 300.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole is sourced from PubChem (CID 56886295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).