6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole

C22H19F2N3O3S — CID 70353363

IUPAC6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1cc(CSc2nc3ccc(OC(F)F)cc3[nH]2)ncc1OCc1ccccc1
InChIInChI=1S/C22H19F2N3O3S/c1-28-19-9-15(25-11-20(19)29-12-14-5-3-2-4-6-14)13-31-22-26-17-8-7-16(30-21(23)24)10-18(17)27-22/h2-11,21H,12-13H2,1H3,(H,26,27)
InChIKeySFYHLZUUZBCALG-UHFFFAOYSA-N
MW443.48 g/mol
LogP5.44
Rot. Bonds9

About 6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole

6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 70353363) has the molecular formula C22H19F2N3O3S and a molecular weight of 443.48 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
PubChem CID70353363
Molecular FormulaC22H19F2N3O3S
Molecular Weight443.48 g/mol
Exact Mass443.11
IUPAC Name6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1cc(CSc2nc3ccc(OC(F)F)cc3[nH]2)ncc1OCc1ccccc1
InChIInChI=1S/C22H19F2N3O3S/c1-28-19-9-15(25-11-20(19)29-12-14-5-3-2-4-6-14)13-31-22-26-17-8-7-16(30-21(23)24)10-18(17)27-22/h2-11,21H,12-13H2,1H3,(H,26,27)
InChIKeySFYHLZUUZBCALG-UHFFFAOYSA-N
XLogP5.44
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole with MolForge

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Related Compounds

6-methoxy-2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 70473916
2-[(5-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 70473266
2-[(5-methoxy-3-methyl-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-6-(2,2,2-trifluoroethoxy)-1H-benzimidazole
CID 70353030
6-chloro-6,7,7-trifluoro-2-[(5-methoxy-4-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 54392122
dicalcium;6-(difluoromethoxy)-2-[(4,5-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 71811241
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
1-[4-(difluoromethoxy)phenyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 7246694
5-chloro-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylpyridin-4-amine
CID 19791166
2-[(5-ethyl-4-phenoxy-2-pyridinyl)methylsulfanyl]-5,6-dimethyl-1H-benzimidazole
CID 70472127
2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 54076152
2-[(4-chloro-2-pyridinyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 79245493
6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole
CID 152712087

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole (CID 70353363) is 6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole is COc1cc(CSc2nc3ccc(OC(F)F)cc3[nH]2)ncc1OCc1ccccc1.
What is the InChIKey of 6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is SFYHLZUUZBCALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3S/c1-28-19-9-15(25-11-20(19)29-12-14-5-3-2-4-6-14)13-31-22-26-17-8-7-16(30-21(23)24)10-18(17)27-22/h2-11,21H,12-13H2,1H3,(H,26,27).
What are the key properties of 6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole?
6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole has a molecular weight of 443.48 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 70353363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).