5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole

C16H20N6S — CID 134010460

IUPAC5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole
SMILESCCCn1nnnc1CSc1nccn1-c1cc(C)cc(C)c1
InChIInChI=1S/C16H20N6S/c1-4-6-22-15(18-19-20-22)11-23-16-17-5-7-21(16)14-9-12(2)8-13(3)10-14/h5,7-10H,4,6,11H2,1-3H3
InChIKeyFCOBFGWKDPDDOU-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.18
Rot. Bonds6

About 5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole

5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole (PubChem CID 134010460) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is 5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole.

Molecular Properties

Compound Name5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole
PubChem CID134010460
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC Name5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole
SMILESCCCn1nnnc1CSc1nccn1-c1cc(C)cc(C)c1
InChIInChI=1S/C16H20N6S/c1-4-6-22-15(18-19-20-22)11-23-16-17-5-7-21(16)14-9-12(2)8-13(3)10-14/h5,7-10H,4,6,11H2,1-3H3
InChIKeyFCOBFGWKDPDDOU-UHFFFAOYSA-N
XLogP3.18
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
CID 134042088
1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
CID 134010897
1-(3,5-dimethylphenyl)-2-[(1-methylpyrazol-4-yl)methylsulfanyl]imidazole
CID 51111847
4-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
CID 43299209
5-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1-propyltetrazole
CID 17437677
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-ethylacetamide
CID 30803081
4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol
CID 60864055
1-(4-butylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]tetrazole
CID 78812765
5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
CID 18131089
2-[(1-propyltetrazol-5-yl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine
CID 47143055
3-methoxy-4-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
CID 79822172
2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole?
The IUPAC name of 5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole (CID 134010460) is 5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole.
What is the SMILES notation for 5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole?
The canonical SMILES for 5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole is CCCn1nnnc1CSc1nccn1-c1cc(C)cc(C)c1.
What is the InChIKey of 5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole?
The InChIKey is FCOBFGWKDPDDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-4-6-22-15(18-19-20-22)11-23-16-17-5-7-21(16)14-9-12(2)8-13(3)10-14/h5,7-10H,4,6,11H2,1-3H3.
What are the key properties of 5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole?
5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole has a molecular weight of 328.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole is sourced from PubChem (CID 134010460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).