2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide

C24H20F2N8O2S — CID 142401343

IUPAC2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide
SMILESCc1ccc2nc(SCc3cccc(NC(=O)C(F)(F)Oc4ccccc4)n3)n(-c3nnnn3C)c2c1
InChIInChI=1S/C24H20F2N8O2S/c1-15-11-12-18-19(13-15)34(22-30-31-32-33(22)2)23(28-18)37-14-16-7-6-10-20(27-16)29-21(35)24(25,26)36-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,27,29,35)
InChIKeyNKHHKPBDNWSDNV-UHFFFAOYSA-N
MW522.54 g/mol
LogP4.16
Rot. Bonds8

About 2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide

2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide (PubChem CID 142401343) has the molecular formula C24H20F2N8O2S and a molecular weight of 522.54 g/mol. Its IUPAC name is 2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide
PubChem CID142401343
Molecular FormulaC24H20F2N8O2S
Molecular Weight522.54 g/mol
Exact Mass522.14
IUPAC Name2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide
SMILESCc1ccc2nc(SCc3cccc(NC(=O)C(F)(F)Oc4ccccc4)n3)n(-c3nnnn3C)c2c1
InChIInChI=1S/C24H20F2N8O2S/c1-15-11-12-18-19(13-15)34(22-30-31-32-33(22)2)23(28-18)37-14-16-7-6-10-20(27-16)29-21(35)24(25,26)36-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,27,29,35)
InChIKeyNKHHKPBDNWSDNV-UHFFFAOYSA-N
XLogP4.16
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2,2-difluoro-2-(4-fluorophenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-yl]acetamide
CID 132010276
2,2-difluoro-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-yl]-2-phenoxyacetamide
CID 132010379
2,2-difluoro-N-[4-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 132019309
2,2-difluoro-N-[6-[[1-(1-methyltetrazol-5-yl)indol-2-yl]oxymethyl]pyridin-2-yl]-2-phenoxyacetamide
CID 132019313
N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]-2-phenoxyacetamide
CID 132022113
N-[6-[[6-cyano-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-yl]-2,2-difluoro-2-phenoxyacetamide
CID 132022115
N-[6-[[5-cyano-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-yl]-2,2-difluoro-2-phenoxyacetamide
CID 132022119
2,2-difluoro-N-[6-[[6-fluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-yl]-2-phenoxyacetamide
CID 132022142
2-(4-fluorophenoxy)-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
CID 132022152
N-[6-[[4,6-difluoro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-yl]-2,2-difluoro-2-phenoxyacetamide
CID 132022159
2,2-difluoro-N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]-2-phenoxyacetamide
CID 135222478
2,2-difluoro-2-phenoxy-N-[6-[[1-pyridin-2-yl-6-[6-[(1-pyridin-2-ylbenzimidazol-2-yl)sulfanylmethyl]pyridin-2-yl]benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]acetamide
CID 135230180

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide?
The IUPAC name of 2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide (CID 142401343) is 2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide.
What is the SMILES notation for 2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide?
The canonical SMILES for 2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide is Cc1ccc2nc(SCc3cccc(NC(=O)C(F)(F)Oc4ccccc4)n3)n(-c3nnnn3C)c2c1.
What is the InChIKey of 2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide?
The InChIKey is NKHHKPBDNWSDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N8O2S/c1-15-11-12-18-19(13-15)34(22-30-31-32-33(22)2)23(28-18)37-14-16-7-6-10-20(27-16)29-21(35)24(25,26)36-17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,27,29,35).
What are the key properties of 2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide?
2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide has a molecular weight of 522.54 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[6-[[6-methyl-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]-2-phenoxyacetamide is sourced from PubChem (CID 142401343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).