5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole

C14H14F2N6S — CID 17413738

IUPAC5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2SCc2nccn2C(F)F)cc1C
InChIInChI=1S/C14H14F2N6S/c1-9-3-4-11(7-10(9)2)22-14(18-19-20-22)23-8-12-17-5-6-21(12)13(15)16/h3-7,13H,8H2,1-2H3
InChIKeyBFICNGGPRYDZSO-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.16
Rot. Bonds5

About 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole

5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole (PubChem CID 17413738) has the molecular formula C14H14F2N6S and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole
PubChem CID17413738
Molecular FormulaC14H14F2N6S
Molecular Weight336.37 g/mol
Exact Mass336.10
IUPAC Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2SCc2nccn2C(F)F)cc1C
InChIInChI=1S/C14H14F2N6S/c1-9-3-4-11(7-10(9)2)22-14(18-19-20-22)23-8-12-17-5-6-21(12)13(15)16/h3-7,13H,8H2,1-2H3
InChIKeyBFICNGGPRYDZSO-UHFFFAOYSA-N
XLogP3.16
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole
CID 24604160
2-chloro-5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 33453638
4-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931391
3-(4-chlorophenyl)-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole
CID 24562137
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 7534557
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methylaniline
CID 79142305
4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-ethyl-1,3-thiazole
CID 18166238
1-(3,4-dimethylphenyl)-5-(1-phenylethylsulfanyl)tetrazole
CID 84888464
3-(2-chlorophenyl)-5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-(2,5-dimethylphenyl)-1,2,4-triazole
CID 24561994
N-butan-2-yl-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 46677048
1-(2,5-dimethylphenyl)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7534577
1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
CID 16625171

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole?
The IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole (CID 17413738) is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole.
What is the SMILES notation for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole?
The canonical SMILES for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole is Cc1ccc(-n2nnnc2SCc2nccn2C(F)F)cc1C.
What is the InChIKey of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole?
The InChIKey is BFICNGGPRYDZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6S/c1-9-3-4-11(7-10(9)2)22-14(18-19-20-22)23-8-12-17-5-6-21(12)13(15)16/h3-7,13H,8H2,1-2H3.
What are the key properties of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole?
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole has a molecular weight of 336.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole is sourced from PubChem (CID 17413738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).