1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole

C16H20N6S — CID 134042088

IUPAC1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
SMILESCCCCn1nnnc1CSc1nccn1-c1ccccc1C
InChIInChI=1S/C16H20N6S/c1-3-4-10-22-15(18-19-20-22)12-23-16-17-9-11-21(16)14-8-6-5-7-13(14)2/h5-9,11H,3-4,10,12H2,1-2H3
InChIKeyRECHYIWOEWYNTJ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.26
Rot. Bonds7

About 1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole

1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole (PubChem CID 134042088) has the molecular formula C16H20N6S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole.

Molecular Properties

Compound Name1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
PubChem CID134042088
Molecular FormulaC16H20N6S
Molecular Weight328.44 g/mol
Exact Mass328.15
IUPAC Name1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
SMILESCCCCn1nnnc1CSc1nccn1-c1ccccc1C
InChIInChI=1S/C16H20N6S/c1-3-4-10-22-15(18-19-20-22)12-23-16-17-9-11-21(16)14-8-6-5-7-13(14)2/h5-9,11H,3-4,10,12H2,1-2H3
InChIKeyRECHYIWOEWYNTJ-UHFFFAOYSA-N
XLogP3.26
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
CID 134010897
5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole
CID 134010460
3-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine
CID 31668594
1-butyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole
CID 47009469
3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanoic acid
CID 82133298
2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 47115102
2-(4-bromophenyl)-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 35586810
8-methyl-2-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 134042086
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 134010931
2-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3-benzothiazole
CID 47009351
2-[5-[(2-methylphenyl)sulfanylmethyl]tetrazol-1-yl]ethanamine
CID 66097605
4-[(1-butyltetrazol-5-yl)methylsulfanyl]pyridine-2-carboxylic acid
CID 79554470

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole?
The IUPAC name of 1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole (CID 134042088) is 1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole.
What is the SMILES notation for 1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole?
The canonical SMILES for 1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole is CCCCn1nnnc1CSc1nccn1-c1ccccc1C.
What is the InChIKey of 1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole?
The InChIKey is RECHYIWOEWYNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-3-4-10-22-15(18-19-20-22)12-23-16-17-9-11-21(16)14-8-6-5-7-13(14)2/h5-9,11H,3-4,10,12H2,1-2H3.
What are the key properties of 1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole?
1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole has a molecular weight of 328.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole is sourced from PubChem (CID 134042088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).