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

C17H22N6S — CID 134010897

IUPAC1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
SMILESCCCCn1nnnc1CSc1nccn1-c1cccc(C)c1C
InChIInChI=1S/C17H22N6S/c1-4-5-10-23-16(19-20-21-23)12-24-17-18-9-11-22(17)15-8-6-7-13(2)14(15)3/h6-9,11H,4-5,10,12H2,1-3H3
InChIKeyCHYLRATXJRGWFK-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.57
Rot. Bonds7

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

1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole (PubChem CID 134010897) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole.

Molecular Properties

Compound Name1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
PubChem CID134010897
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
SMILESCCCCn1nnnc1CSc1nccn1-c1cccc(C)c1C
InChIInChI=1S/C17H22N6S/c1-4-5-10-23-16(19-20-21-23)12-24-17-18-9-11-22(17)15-8-6-7-13(2)14(15)3/h6-9,11H,4-5,10,12H2,1-3H3
InChIKeyCHYLRATXJRGWFK-UHFFFAOYSA-N
XLogP3.57
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.57
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
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-ethyl-1,3,4-oxadiazole
CID 134010931
3-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine
CID 31668594
5-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1-propyltetrazole
CID 134010460
2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 40669203
3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 134010930
1-butyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole
CID 47009469
5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 55552695
5-tert-butyl-3-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 35362373
2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 47115102
1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 163542444
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 41459961

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole?
The IUPAC name of 1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole (CID 134010897) is 1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole.
What is the SMILES notation for 1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole?
The canonical SMILES for 1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole is CCCCn1nnnc1CSc1nccn1-c1cccc(C)c1C.
What is the InChIKey of 1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole?
The InChIKey is CHYLRATXJRGWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-4-5-10-23-16(19-20-21-23)12-24-17-18-9-11-22(17)15-8-6-7-13(2)14(15)3/h6-9,11H,4-5,10,12H2,1-3H3.
What are the key properties of 1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole?
1-butyl-5-[[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole has a molecular weight of 342.47 g/mol, XLogP of 3.57, 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-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole is sourced from PubChem (CID 134010897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).