1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole

C18H16F2N6S — CID 16625090

IUPAC1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
SMILESCc1ccc(C)c(-n2nnnc2SCc2nc3ccccc3n2C(F)F)c1
InChIInChI=1S/C18H16F2N6S/c1-11-7-8-12(2)15(9-11)26-18(22-23-24-26)27-10-16-21-13-5-3-4-6-14(13)25(16)17(19)20/h3-9,17H,10H2,1-2H3
InChIKeyXHFYJVKLPUNSMI-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.32
Rot. Bonds5

About 1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole

1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole (PubChem CID 16625090) has the molecular formula C18H16F2N6S and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
PubChem CID16625090
Molecular FormulaC18H16F2N6S
Molecular Weight386.43 g/mol
Exact Mass386.11
IUPAC Name1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
SMILESCc1ccc(C)c(-n2nnnc2SCc2nc3ccccc3n2C(F)F)c1
InChIInChI=1S/C18H16F2N6S/c1-11-7-8-12(2)15(9-11)26-18(22-23-24-26)27-10-16-21-13-5-3-4-6-14(13)25(16)17(19)20/h3-9,17H,10H2,1-2H3
InChIKeyXHFYJVKLPUNSMI-UHFFFAOYSA-N
XLogP4.32
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(difluoromethyl)-2-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
CID 16625171
1-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylsulfanyl]tetrazole
CID 7878057
2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile
CID 8692882
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121
3-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine
CID 38977278
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetonitrile
CID 18777070
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(4-methylphenyl)ethanone
CID 829105
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-(difluoromethyl)benzimidazole
CID 24629613
1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 2649844
N-(1H-benzimidazol-2-yl)-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2092239
3-[[1-(difluoromethyl)benzimidazol-2-yl]methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazol-4-amine
CID 16624113
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 7877747

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole (CID 16625090) is 1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole is Cc1ccc(C)c(-n2nnnc2SCc2nc3ccccc3n2C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole?
The InChIKey is XHFYJVKLPUNSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6S/c1-11-7-8-12(2)15(9-11)26-18(22-23-24-26)27-10-16-21-13-5-3-4-6-14(13)25(16)17(19)20/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole?
1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole has a molecular weight of 386.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole is sourced from PubChem (CID 16625090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).