6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole

C102H108BBr2Cl4IN22O10 — CID 158863066

About 6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole

6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole (PubChem CID 158863066) has the molecular formula C102H108BBr2Cl4IN22O10 and a molecular weight of 2241.47 g/mol. Its IUPAC name is 6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole.

Molecular Properties

• Compound Name: 6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
• PubChem CID: 158863066
• Molecular Formula: C102H108BBr2Cl4IN22O10
• Molecular Weight: 2241.47 g/mol
• Exact Mass: 2236.49
• IUPAC Name: 6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
• SMILES: Brc1ccc2nc[nH]c2c1.Cc1nc2cc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ccc2n1C1COC1.Cc1nc2ccc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc2n1C1COC1.Cc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1C1COC1.Cc1nc2ccc(Br)cc2n1C1COC1.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.IC1COC1
• InChI: InChI=1S/2C25H25ClN6O2.C17H23BN2O3.C14H14Cl2N4O.C11H11BrN2O.C7H5BrN2.C3H5IO/c1-16-27-22-12-17(2-7-23(22)32(16)20-14-34-15-20)21-13-24(28-19-5-3-18(26)4-6-19)30-25(29-21)31-8-10-33-11-9-31;1-16-27-21-7-2-17(12-23(21)32(16)20-14-34-15-20)22-13-24(28-19-5-3-18(26)4-6-19)30-25(29-22)31-8-10-33-11-9-31;1-11-19-14-7-6-12(8-15(14)20(11)13-9-21-10-13)18-22-16(2,3)17(4,5)23-18;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-7-13-10-3-2-8(12)4-11(10)14(7)9-5-15-6-9;8-5-1-2-6-7(3-5)10-4-9-6;4-3-1-5-2-3/h2*2-7,12-13,20H,8-11,14-15H2,1H3,(H,28,29,30);6-8,13H,9-10H2,1-5H3;1-4,9H,5-8H2,(H,17,18,19);2-4,9H,5-6H2,1H3;1-4H,(H,9,10);3H,1-2H2
• InChIKey: JAWRMWGNTKHIDM-UHFFFAOYSA-N
• XLogP: 20.62
• TPSA: 315.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2241.47
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole?

The IUPAC name of 6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole (CID 158863066) is 6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole.

What is the SMILES notation for 6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole?

The canonical SMILES for 6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole is Brc1ccc2nc[nH]c2c1.Cc1nc2cc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)ccc2n1C1COC1.Cc1nc2ccc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc2n1C1COC1.Cc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1C1COC1.Cc1nc2ccc(Br)cc2n1C1COC1.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.IC1COC1.

What is the InChIKey of 6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole?

The InChIKey is JAWRMWGNTKHIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H25ClN6O2.C17H23BN2O3.C14H14Cl2N4O.C11H11BrN2O.C7H5BrN2.C3H5IO/c1-16-27-22-12-17(2-7-23(22)32(16)20-14-34-15-20)21-13-24(28-19-5-3-18(26)4-6-19)30-25(29-21)31-8-10-33-11-9-31;1-16-27-21-7-2-17(12-23(21)32(16)20-14-34-15-20)22-13-24(28-19-5-3-18(26)4-6-19)30-25(29-22)31-8-10-33-11-9-31;1-11-19-14-7-6-12(8-15(14)20(11)13-9-21-10-13)18-22-16(2,3)17(4,5)23-18;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-7-13-10-3-2-8(12)4-11(10)14(7)9-5-15-6-9;8-5-1-2-6-7(3-5)10-4-9-6;4-3-1-5-2-3/h2*2-7,12-13,20H,8-11,14-15H2,1H3,(H,28,29,30);6-8,13H,9-10H2,1-5H3;1-4,9H,5-8H2,(H,17,18,19);2-4,9H,5-6H2,1H3;1-4H,(H,9,10);3H,1-2H2.

What are the key properties of 6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole?

6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole has a molecular weight of 2241.47 g/mol, XLogP of 20.62, 16 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole is sourced from PubChem (CID 158863066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).