2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane

C63H67BrN8O6 — CID 158262521

About 2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane

2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane (PubChem CID 158262521) has the molecular formula C63H67BrN8O6 and a molecular weight of 1112.18 g/mol. Its IUPAC name is 2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane.

Molecular Properties

• Compound Name: 2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane
• PubChem CID: 158262521
• Molecular Formula: C63H67BrN8O6
• Molecular Weight: 1112.18 g/mol
• Exact Mass: 1110.44
• IUPAC Name: 2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane
• SMILES: C.C.Cc1cccnc1Br.Cc1cccnc1C(O)(c1ccccc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(C(=O)c2ccccc2)c2nc(C3CC3)n(C(=O)OC(C)(C)C)c2c1
• InChI: InChI=1S/C28H26N4O2.C27H27N3O4.C6H6BrN.2CH4/c1-16-8-7-13-29-26(16)28(33,21-9-5-4-6-10-21)22-14-20(24-17(2)32-34-18(24)3)15-23-25(22)31-27(30-23)19-11-12-19;1-15-22(16(2)34-29-15)19-13-20(24(31)17-9-7-6-8-10-17)23-21(14-19)30(25(28-23)18-11-12-18)26(32)33-27(3,4)5;1-5-3-2-4-8-6(5)7;;/h4-10,13-15,19,33H,11-12H2,1-3H3,(H,30,31);6-10,13-14,18H,11-12H2,1-5H3;2-4H,1H3;2*1H4
• InChIKey: GIASTXRPIXYSJX-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 187.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1112.18
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane?

The IUPAC name of 2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane (CID 158262521) is 2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane.

What is the SMILES notation for 2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane?

The canonical SMILES for 2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane is C.C.Cc1cccnc1Br.Cc1cccnc1C(O)(c1ccccc1)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12.Cc1noc(C)c1-c1cc(C(=O)c2ccccc2)c2nc(C3CC3)n(C(=O)OC(C)(C)C)c2c1.

What is the InChIKey of 2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane?

The InChIKey is GIASTXRPIXYSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2.C27H27N3O4.C6H6BrN.2CH4/c1-16-8-7-13-29-26(16)28(33,21-9-5-4-6-10-21)22-14-20(24-17(2)32-34-18(24)3)15-23-25(22)31-27(30-23)19-11-12-19;1-15-22(16(2)34-29-15)19-13-20(24(31)17-9-7-6-8-10-17)23-21(14-19)30(25(28-23)18-11-12-18)26(32)33-27(3,4)5;1-5-3-2-4-8-6(5)7;;/h4-10,13-15,19,33H,11-12H2,1-3H3,(H,30,31);6-10,13-14,18H,11-12H2,1-5H3;2-4H,1H3;2*1H4.

What are the key properties of 2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane?

2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane has a molecular weight of 1112.18 g/mol, XLogP of 15.32, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-3-methylpyridine;tert-butyl 4-benzoyl-2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazole-1-carboxylate;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(3-methyl-2-pyridinyl)-phenylmethanol;methane is sourced from PubChem (CID 158262521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).