2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride

C71H82BrF4N17O5 — CID 161381622

About 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride

2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride (PubChem CID 161381622) has the molecular formula C71H82BrF4N17O5 and a molecular weight of 1411.46 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride.

Molecular Properties

• Compound Name: 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride
• PubChem CID: 161381622
• Molecular Formula: C71H82BrF4N17O5
• Molecular Weight: 1411.46 g/mol
• Exact Mass: 1409.59
• IUPAC Name: 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride
• SMILES: C.CCOC(=O)CCCCCCCN(c1ccc(F)cn1)c1nc2ccccc2n1C.Cn1c(N(CCCCCCC(=O)C(=O)NO)c2ccc(F)cn2)nc2ccccc21.Cn1c(N)nc2ccccc21.Cn1c(Nc2ccc(F)cn2)nc2ccccc21.Fc1ccc(Br)nc1.[H][3H]
• InChI: InChI=1S/C23H29FN4O2.C21H24FN5O3.C13H11FN4.C8H9N3.C5H3BrFN.CH4.H2/c1-3-30-22(29)13-7-5-4-6-10-16-28(21-15-14-18(24)17-25-21)23-26-19-11-8-9-12-20(19)27(23)2;1-26-17-9-6-5-8-16(17)24-21(26)27(19-12-11-15(22)14-23-19)13-7-3-2-4-10-18(28)20(29)25-30;1-18-11-5-3-2-4-10(11)16-13(18)17-12-7-6-9(14)8-15-12;1-11-7-5-3-2-4-6(7)10-8(11)9;6-5-2-1-4(7)3-8-5;;/h8-9,11-12,14-15,17H,3-7,10,13,16H2,1-2H3;5-6,8-9,11-12,14,30H,2-4,7,10,13H2,1H3,(H,25,29);2-8H,1H3,(H,15,16,17);2-5H,1H3,(H2,9,10);1-3H;1H4;1H/i;;;;;;1+2
• InChIKey: VRUJVPYGCSBZOK-ZKPGHZHMSA-N
• XLogP: 15.29
• TPSA: 260.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1411.46
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride?

The IUPAC name of 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride (CID 161381622) is 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride.

What is the SMILES notation for 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride?

The canonical SMILES for 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride is C.CCOC(=O)CCCCCCCN(c1ccc(F)cn1)c1nc2ccccc2n1C.Cn1c(N(CCCCCCC(=O)C(=O)NO)c2ccc(F)cn2)nc2ccccc21.Cn1c(N)nc2ccccc21.Cn1c(Nc2ccc(F)cn2)nc2ccccc21.Fc1ccc(Br)nc1.[H][3H].

What is the InChIKey of 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride?

The InChIKey is VRUJVPYGCSBZOK-ZKPGHZHMSA-N. The full InChI is InChI=1S/C23H29FN4O2.C21H24FN5O3.C13H11FN4.C8H9N3.C5H3BrFN.CH4.H2/c1-3-30-22(29)13-7-5-4-6-10-16-28(21-15-14-18(24)17-25-21)23-26-19-11-8-9-12-20(19)27(23)2;1-26-17-9-6-5-8-16(17)24-21(26)27(19-12-11-15(22)14-23-19)13-7-3-2-4-10-18(28)20(29)25-30;1-18-11-5-3-2-4-10(11)16-13(18)17-12-7-6-9(14)8-15-12;1-11-7-5-3-2-4-6(7)10-8(11)9;6-5-2-1-4(7)3-8-5;;/h8-9,11-12,14-15,17H,3-7,10,13,16H2,1-2H3;5-6,8-9,11-12,14,30H,2-4,7,10,13H2,1H3,(H,25,29);2-8H,1H3,(H,15,16,17);2-5H,1H3,(H2,9,10);1-3H;1H4;1H/i;;;;;;1+2.

What are the key properties of 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride?

2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride has a molecular weight of 1411.46 g/mol, XLogP of 15.29, 23 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-fluoropyridine;ethyl 8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;8-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxy-2-oxooctanamide;methane;1-methylbenzimidazol-2-amine;tritium monohydride is sourced from PubChem (CID 161381622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).