6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate

C70H79F5N12O12S4 — CID 157940001

IUPAC6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate
SMILESCC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.CC1=CN=C(C(=C1OC)OC)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F.CC1=CN=C(C(=C1OC)C)CS(C)(C)C2=NC3=C(N2)C=C(C=C3)OC.CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCC(F)(F)F.O
InChIInChI=1S/C19H25N3O2S.C17H16F3N3O2S.C17H17F2N3O4S.C17H19N3O3S.H2O/c1-12-10-20-17(13(2)18(12)24-4)11-25(5,6)19-21-15-8-7-14(23-3)9-16(15)22-19;1-11-14(21-8-6-15(11)25-9-7-17(18,19)20)10-26(24)16-22-12-4-2-3-5-13(12)23-16;1-9-7-20-13(15(25-3)14(9)24-2)8-27(23)17-21-11-5-4-10(26-16(18)19)6-12(11)22-17;1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h7-10H,11H2,1-6H3,(H,21,22);2-6,8H,7,9-10H2,1H3,(H,22,23);4-7,16H,8H2,1-3H3,(H,21,22);5-8H,9H2,1-4H3,(H,19,20);1H2
InChIKeyVMOVXAWBMRKIKB-UHFFFAOYSA-N
MW1503.70 g/mol
LogP—
Rot. Bonds23

About 6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate

6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate (PubChem CID 157940001) has the molecular formula C70H79F5N12O12S4 and a molecular weight of 1503.70 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate
PubChem CID157940001
Molecular FormulaC70H79F5N12O12S4
Molecular Weight1503.70 g/mol
Exact Mass1502.47
IUPAC Name6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate
SMILESCC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.CC1=CN=C(C(=C1OC)OC)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F.CC1=CN=C(C(=C1OC)C)CS(C)(C)C2=NC3=C(N2)C=C(C=C3)OC.CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCC(F)(F)F.O
InChIInChI=1S/C19H25N3O2S.C17H16F3N3O2S.C17H17F2N3O4S.C17H19N3O3S.H2O/c1-12-10-20-17(13(2)18(12)24-4)11-25(5,6)19-21-15-8-7-14(23-3)9-16(15)22-19;1-11-14(21-8-6-15(11)25-9-7-17(18,19)20)10-26(24)16-22-12-4-2-3-5-13(12)23-16;1-9-7-20-13(15(25-3)14(9)24-2)8-27(23)17-21-11-5-4-10(26-16(18)19)6-12(11)22-17;1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h7-10H,11H2,1-6H3,(H,21,22);2-6,8H,7,9-10H2,1H3,(H,22,23);4-7,16H,8H2,1-3H3,(H,21,22);5-8H,9H2,1-4H3,(H,19,20);1H2
InChIKeyVMOVXAWBMRKIKB-UHFFFAOYSA-N
XLogP—
TPSA351.00 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms103
Complexity1920

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001503.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate?
The IUPAC name of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate (CID 157940001) is 6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate.
What is the SMILES notation for 6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate?
The canonical SMILES for 6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate is CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.CC1=CN=C(C(=C1OC)OC)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(F)F.CC1=CN=C(C(=C1OC)C)CS(C)(C)C2=NC3=C(N2)C=C(C=C3)OC.CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCC(F)(F)F.O.
What is the InChIKey of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate?
The InChIKey is VMOVXAWBMRKIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S.C17H16F3N3O2S.C17H17F2N3O4S.C17H19N3O3S.H2O/c1-12-10-20-17(13(2)18(12)24-4)11-25(5,6)19-21-15-8-7-14(23-3)9-16(15)22-19;1-11-14(21-8-6-15(11)25-9-7-17(18,19)20)10-26(24)16-22-12-4-2-3-5-13(12)23-16;1-9-7-20-13(15(25-3)14(9)24-2)8-27(23)17-21-11-5-4-10(26-16(18)19)6-12(11)22-17;1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h7-10H,11H2,1-6H3,(H,21,22);2-6,8H,7,9-10H2,1H3,(H,22,23);4-7,16H,8H2,1-3H3,(H,21,22);5-8H,9H2,1-4H3,(H,19,20);1H2.
What are the key properties of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate?
6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate has a molecular weight of 1503.70 g/mol, XLogP of not available, 23 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-[(3,4-dimethoxy-5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;(6-methoxy-1H-benzimidazol-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-dimethyl-lambda4-sulfane;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(3,3,3-trifluoropropoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate is sourced from PubChem (CID 157940001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).