2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine

C69H82BrN17O4 — CID 157322064

About 2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine

2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine (PubChem CID 157322064) has the molecular formula C69H82BrN17O4 and a molecular weight of 1293.43 g/mol. Its IUPAC name is 2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine.

Molecular Properties

• Compound Name: 2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine
• PubChem CID: 157322064
• Molecular Formula: C69H82BrN17O4
• Molecular Weight: 1293.43 g/mol
• Exact Mass: 1291.59
• IUPAC Name: 2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine
• SMILES: Brc1ccccn1.C.CCOC(=O)CCCCCCN(c1ccccn1)c1nc2ccccc2n1C.Cn1c(N(CCCCCCC(=O)NO)c2ccccn2)nc2ccccc21.Cn1c(N)nc2ccccc21.Cn1c(Nc2ccccn2)nc2ccccc21
• InChI: InChI=1S/C22H28N4O2.C20H25N5O2.C13H12N4.C8H9N3.C5H4BrN.CH4/c1-3-28-21(27)15-6-4-5-11-17-26(20-14-9-10-16-23-20)22-24-18-12-7-8-13-19(18)25(22)2;1-24-17-11-6-5-10-16(17)22-20(24)25(18-12-7-8-14-21-18)15-9-3-2-4-13-19(26)23-27;1-17-11-7-3-2-6-10(11)15-13(17)16-12-8-4-5-9-14-12;1-11-7-5-3-2-4-6(7)10-8(11)9;6-5-3-1-2-4-7-5;/h7-10,12-14,16H,3-6,11,15,17H2,1-2H3;5-8,10-12,14,27H,2-4,9,13,15H2,1H3,(H,23,26);2-9H,1H3,(H,14,15,16);2-5H,1H3,(H2,9,10);1-4H;1H4
• InChIKey: BEGZLDUYVFNEKT-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 243.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.43
LogP ≤ 5	14.53
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-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine?

The IUPAC name of 2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine (CID 157322064) is 2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine.

What is the SMILES notation for 2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine?

The canonical SMILES for 2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine is Brc1ccccn1.C.CCOC(=O)CCCCCCN(c1ccccn1)c1nc2ccccc2n1C.Cn1c(N(CCCCCCC(=O)NO)c2ccccn2)nc2ccccc21.Cn1c(N)nc2ccccc21.Cn1c(Nc2ccccn2)nc2ccccc21.

What is the InChIKey of 2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine?

The InChIKey is BEGZLDUYVFNEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.C20H25N5O2.C13H12N4.C8H9N3.C5H4BrN.CH4/c1-3-28-21(27)15-6-4-5-11-17-26(20-14-9-10-16-23-20)22-24-18-12-7-8-13-19(18)25(22)2;1-24-17-11-6-5-10-16(17)22-20(24)25(18-12-7-8-14-21-18)15-9-3-2-4-13-19(26)23-27;1-17-11-7-3-2-6-10(11)15-13(17)16-12-8-4-5-9-14-12;1-11-7-5-3-2-4-6(7)10-8(11)9;6-5-3-1-2-4-7-5;/h7-10,12-14,16H,3-6,11,15,17H2,1-2H3;5-8,10-12,14,27H,2-4,9,13,15H2,1H3,(H,23,26);2-9H,1H3,(H,14,15,16);2-5H,1H3,(H2,9,10);1-4H;1H4.

What are the key properties of 2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine?

2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine has a molecular weight of 1293.43 g/mol, XLogP of 14.53, 21 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine;ethyl 7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanoate;N-hydroxy-7-[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]heptanamide;methane;1-methylbenzimidazol-2-amine;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 157322064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).