3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole

C45H47BrN10O4S2 — CID 157220447

About 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole

3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole (PubChem CID 157220447) has the molecular formula C45H47BrN10O4S2 and a molecular weight of 935.97 g/mol. Its IUPAC name is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole.

Molecular Properties

• Compound Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole
• PubChem CID: 157220447
• Molecular Formula: C45H47BrN10O4S2
• Molecular Weight: 935.97 g/mol
• Exact Mass: 934.24
• IUPAC Name: 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole
• SMILES: C.COc1nc(C2=NC(c3sc4ccccc4c3C)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3sc4ccccc4c3C)CON2)ccc1Br.Cc1cnc[nH]1
• InChI: InChI=1S/C22H21N5O2S.C18H16BrN3O2S.C4H6N2.CH4/c1-13-10-27(12-23-13)18-9-8-16(25-22(18)28-3)21-24-17(11-29-26-21)20-14(2)15-6-4-5-7-19(15)30-20;1-10-11-5-3-4-6-15(11)25-16(10)14-9-24-22-17(20-14)13-8-7-12(19)18(21-13)23-2;1-4-2-5-3-6-4;/h4-10,12,17H,11H2,1-3H3,(H,24,26);3-8,14H,9H2,1-2H3,(H,20,22);2-3H,1H3,(H,5,6);1H4
• InChIKey: ASXQJAMPCZFKIE-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 157.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	935.97
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

The IUPAC name of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole (CID 157220447) is 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole.

What is the SMILES notation for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

The canonical SMILES for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole is C.COc1nc(C2=NC(c3sc4ccccc4c3C)CON2)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3sc4ccccc4c3C)CON2)ccc1Br.Cc1cnc[nH]1.

What is the InChIKey of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

The InChIKey is ASXQJAMPCZFKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S.C18H16BrN3O2S.C4H6N2.CH4/c1-13-10-27(12-23-13)18-9-8-16(25-22(18)28-3)21-24-17(11-29-26-21)20-14(2)15-6-4-5-7-19(15)30-20;1-10-11-5-3-4-6-15(11)25-16(10)14-9-24-22-17(20-14)13-8-7-12(19)18(21-13)23-2;1-4-2-5-3-6-4;/h4-10,12,17H,11H2,1-3H3,(H,24,26);3-8,14H,9H2,1-2H3,(H,20,22);2-3H,1H3,(H,5,6);1H4.

What are the key properties of 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole?

3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole has a molecular weight of 935.97 g/mol, XLogP of 9.88, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-bromo-6-methoxy-2-pyridinyl)-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;methane;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(3-methyl-1-benzothiophen-2-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;5-methyl-1H-imidazole is sourced from PubChem (CID 157220447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).