6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole

C17H17F2N3O3 — CID 152712087

IUPAC6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole
SMILESCOc1cnc(Cc2nc3ccc(OC(F)F)cc3[nH]2)c(C)c1OC
InChIInChI=1S/C17H17F2N3O3/c1-9-12(20-8-14(23-2)16(9)24-3)7-15-21-11-5-4-10(25-17(18)19)6-13(11)22-15/h4-6,8,17H,7H2,1-3H3,(H,21,22)
InChIKeyZTUWMJDJTBNFPB-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.48
Rot. Bonds6

About 6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole

6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole (PubChem CID 152712087) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole
PubChem CID152712087
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole
SMILESCOc1cnc(Cc2nc3ccc(OC(F)F)cc3[nH]2)c(C)c1OC
InChIInChI=1S/C17H17F2N3O3/c1-9-12(20-8-14(23-2)16(9)24-3)7-15-21-11-5-4-10(25-17(18)19)6-13(11)22-15/h4-6,8,17H,7H2,1-3H3,(H,21,22)
InChIKeyZTUWMJDJTBNFPB-UHFFFAOYSA-N
XLogP3.48
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

magnesium;disodium;bis(6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);bis(6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole)
CID 173170359
bis(6-(difluoromethoxy)-2-[(S)-(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole);dihydrate
CID 68952729
dicalcium;6-(difluoromethoxy)-2-[(4,5-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 71811241
6-(difluoromethoxy)-N-(3,4-dimethoxy-2-pyridinyl)-N-methyl-1H-benzimidazole-2-sulfonamide
CID 69094768
6-(difluoromethoxy)-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 70353363
2-[[4-(deuteriomethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-(difluoromethoxy)-1H-benzimidazole
CID 87489373
2-[(R)-[4-(dideuteriomethoxy)-3-methoxy-2-pyridinyl]methylsulfinyl]-6-(difluoromethoxy)-1H-benzimidazole
CID 87488432
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
sodium;6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;hydride;2-methylpropan-1-ol
CID 173041620
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
sodium;6-(difluoromethoxy)-2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfonyl]-1H-benzimidazole;hydride
CID 173153274
methanol;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 174757832

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole?
The IUPAC name of 6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole (CID 152712087) is 6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole is COc1cnc(Cc2nc3ccc(OC(F)F)cc3[nH]2)c(C)c1OC.
What is the InChIKey of 6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole?
The InChIKey is ZTUWMJDJTBNFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-9-12(20-8-14(23-2)16(9)24-3)7-15-21-11-5-4-10(25-17(18)19)6-13(11)22-15/h4-6,8,17H,7H2,1-3H3,(H,21,22).
What are the key properties of 6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole?
6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole has a molecular weight of 349.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 152712087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).