2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane

C68H76BrF4N17O4S — CID 158198252

About 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane

2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane (PubChem CID 158198252) has the molecular formula C68H76BrF4N17O4S and a molecular weight of 1383.43 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane.

Molecular Properties

• Compound Name: 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane
• PubChem CID: 158198252
• Molecular Formula: C68H76BrF4N17O4S
• Molecular Weight: 1383.43 g/mol
• Exact Mass: 1381.51
• IUPAC Name: 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane
• SMILES: CCOC(=O)CCCCCCN(c1ccc(F)cn1)c1nc2ccccc2n1C.Cn1c(N(CCCCCCC(=O)NO)c2ccc(F)cn2)nc2ccccc21.Cn1c(N)nc2ccccc21.Cn1c(Nc2ccc(F)cn2)nc2ccccc21.Fc1ccc(Br)nc1.S
• InChI: InChI=1S/C22H27FN4O2.C20H24FN5O2.C13H11FN4.C8H9N3.C5H3BrFN.H2S/c1-3-29-21(28)12-6-4-5-9-15-27(20-14-13-17(23)16-24-20)22-25-18-10-7-8-11-19(18)26(22)2;1-25-17-9-6-5-8-16(17)23-20(25)26(18-12-11-15(21)14-22-18)13-7-3-2-4-10-19(27)24-28;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;/h7-8,10-11,13-14,16H,3-6,9,12,15H2,1-2H3;5-6,8-9,11-12,14,28H,2-4,7,10,13H2,1H3,(H,24,27);2-8H,1H3,(H,15,16,17);2-5H,1H3,(H2,9,10);1-3H;1H2
• InChIKey: GAPKGWXZGWJCSD-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 243.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1383.43
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane?

The IUPAC name of 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane (CID 158198252) is 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane.

What is the SMILES notation for 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane?

The canonical SMILES for 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane is CCOC(=O)CCCCCCN(c1ccc(F)cn1)c1nc2ccccc2n1C.Cn1c(N(CCCCCCC(=O)NO)c2ccc(F)cn2)nc2ccccc21.Cn1c(N)nc2ccccc21.Cn1c(Nc2ccc(F)cn2)nc2ccccc21.Fc1ccc(Br)nc1.S.

What is the InChIKey of 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane?

The InChIKey is GAPKGWXZGWJCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2.C20H24FN5O2.C13H11FN4.C8H9N3.C5H3BrFN.H2S/c1-3-29-21(28)12-6-4-5-9-15-27(20-14-13-17(23)16-24-20)22-25-18-10-7-8-11-19(18)26(22)2;1-25-17-9-6-5-8-16(17)23-20(25)26(18-12-11-15(21)14-22-18)13-7-3-2-4-10-19(27)24-28;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;/h7-8,10-11,13-14,16H,3-6,9,12,15H2,1-2H3;5-6,8-9,11-12,14,28H,2-4,7,10,13H2,1H3,(H,24,27);2-8H,1H3,(H,15,16,17);2-5H,1H3,(H2,9,10);1-3H;1H2.

What are the key properties of 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane?

2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane has a molecular weight of 1383.43 g/mol, XLogP of 14.56, 21 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;7-[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]-N-hydroxyheptanamide;1-methylbenzimidazol-2-amine;sulfane is sourced from PubChem (CID 158198252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).