magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium

C35H37MgN5O6S2 — CID 44828487

IUPACmagnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium
SMILESCOc1ccc2[cH-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]
InChIInChI=1S/C18H19N2O3S.C17H18N3O3S.Mg/c1-11-9-19-16(12(2)18(11)23-4)10-24(21)17-7-13-5-6-14(22-3)8-15(13)20-17;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;/h5-9H,10H2,1-4H3;5-8H,9H2,1-4H3;/q2*-1;+2
InChIKeyOZHORRHBRBVGMX-UHFFFAOYSA-N
MW712.15 g/mol
LogP5.44
Rot. Bonds10

About magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium

magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium (PubChem CID 44828487) has the molecular formula C35H37MgN5O6S2 and a molecular weight of 712.15 g/mol. Its IUPAC name is magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium.

Molecular Properties

Compound Namemagnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium
PubChem CID44828487
Molecular FormulaC35H37MgN5O6S2
Molecular Weight712.15 g/mol
Exact Mass711.20
IUPAC Namemagnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium
SMILESCOc1ccc2[cH-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]
InChIInChI=1S/C18H19N2O3S.C17H18N3O3S.Mg/c1-11-9-19-16(12(2)18(11)23-4)10-24(21)17-7-13-5-6-14(22-3)8-15(13)20-17;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;/h5-9H,10H2,1-4H3;5-8H,9H2,1-4H3;/q2*-1;+2
InChIKeyOZHORRHBRBVGMX-UHFFFAOYSA-N
XLogP5.44
TPSA148.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.15
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium?
The IUPAC name of magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium (CID 44828487) is magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium.
What is the SMILES notation for magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium?
The canonical SMILES for magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium is COc1ccc2[cH-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2].
What is the InChIKey of magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium?
The InChIKey is OZHORRHBRBVGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2O3S.C17H18N3O3S.Mg/c1-11-9-19-16(12(2)18(11)23-4)10-24(21)17-7-13-5-6-14(22-3)8-15(13)20-17;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;/h5-9H,10H2,1-4H3;5-8H,9H2,1-4H3;/q2*-1;+2.
What are the key properties of magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium?
magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium has a molecular weight of 712.15 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(5-methoxybenzimidazol-1-id-2-yl)-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-oxidosulfanium;(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(6-methoxy-3H-indol-3-id-2-yl)-oxidosulfanium is sourced from PubChem (CID 44828487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).