2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine

C70H68BrN17O4 — CID 161309712

IUPAC2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine
SMILESBrc1ccccn1.C.COC(=O)c1ccc(CN(c2ccccn2)c2nc3ccccc3n2C)cc1.Cn1c(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)nc2ccccc21.Cn1c(N)nc2ccccc21.Cn1c(Nc2ccccn2)nc2ccccc21
InChIInChI=1S/C22H20N4O2.C21H19N5O2.C13H12N4.C8H9N3.C5H4BrN.CH4/c1-25-19-8-4-3-7-18(19)24-22(25)26(20-9-5-6-14-23-20)15-16-10-12-17(13-11-16)21(27)28-2;1-25-18-7-3-2-6-17(18)23-21(25)26(19-8-4-5-13-22-19)14-15-9-11-16(12-10-15)20(27)24-28;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;/h3-14H,15H2,1-2H3;2-13,28H,14H2,1H3,(H,24,27);2-9H,1H3,(H,14,15,16);2-5H,1H3,(H2,9,10);1-4H;1H4
InChIKeyVISKGWXUPGVFAV-UHFFFAOYSA-N
MW1291.33 g/mol
LogP13.87
Rot. Bonds12

About 2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine

2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine (PubChem CID 161309712) has the molecular formula C70H68BrN17O4 and a molecular weight of 1291.33 g/mol. Its IUPAC name is 2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine
PubChem CID161309712
Molecular FormulaC70H68BrN17O4
Molecular Weight1291.33 g/mol
Exact Mass1289.48
IUPAC Name2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine
SMILESBrc1ccccn1.C.COC(=O)c1ccc(CN(c2ccccn2)c2nc3ccccc3n2C)cc1.Cn1c(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)nc2ccccc21.Cn1c(N)nc2ccccc21.Cn1c(Nc2ccccn2)nc2ccccc21
InChIInChI=1S/C22H20N4O2.C21H19N5O2.C13H12N4.C8H9N3.C5H4BrN.CH4/c1-25-19-8-4-3-7-18(19)24-22(25)26(20-9-5-6-14-23-20)15-16-10-12-17(13-11-16)21(27)28-2;1-25-18-7-3-2-6-17(18)23-21(25)26(19-8-4-5-13-22-19)14-15-9-11-16(12-10-15)20(27)24-28;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;/h3-14H,15H2,1-2H3;2-13,28H,14H2,1H3,(H,24,27);2-9H,1H3,(H,14,15,16);2-5H,1H3,(H2,9,10);1-4H;1H4
InChIKeyVISKGWXUPGVFAV-UHFFFAOYSA-N
XLogP13.87
TPSA243.00 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001291.33
LogP ≤ 513.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine with MolForge

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Related Compounds

benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
CID 175904902
(1-Bromoimidazo[1,5-a]pyridin-3-yl)-(2-methylphenyl)methanone;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyrimidin-6-yl-(2-methylphenyl)methanone;4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoic acid;methyl 4-[3-(2-methylbenzoyl)imidazo[1,5-a]pyridin-1-yl]benzoate
CID 157107320
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
2-bromo-5-fluoropyridine;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]-N-hydroxybenzamide;methane;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]benzoate;3-methyl-1,2,4-oxadiazol-5-amine
CID 157505446
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;methane;1-methylbenzimidazol-2-amine;tritium monohydride
CID 157579229
4-bromo-5-methylbenzene-1,2-diamine;3-[(1,6-dimethyl-5-pyridin-3-ylbenzimidazol-2-yl)-methylamino]-N-hydroxybenzamide;methyl 3-[(6-bromo-5-methyl-3H-indol-2-yl)methyl]benzoate;methyl 3-[(1,6-dimethyl-5-pyridin-3-ylbenzimidazol-2-yl)-methylamino]benzoate;methyl 3-[(5-methyl-6-pyridin-3-yl-3H-indol-2-yl)methyl]benzoate
CID 157594262
N-(4-bromo-2-pyridinyl)pyrazin-2-amine;2,4-dibromopyridine;N-hydroxy-4-[[[4-(1H-indol-5-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzamide;methane;methyl 4-[[(4-bromo-2-pyridinyl)-pyrazin-2-ylamino]methyl]benzoate;methyl 4-[[[4-(1H-indol-5-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate;pyrazin-2-amine
CID 157745497
Methyl 4-(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoate;methyl 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoate;6-(2-methylpyrrolidin-1-yl)pyridin-2-amine
CID 157767259
2-bromopyridine;N-hydroxy-4-[[pyrazin-2-yl(pyridin-2-yl)amino]methyl]benzamide;methane;methyl 4-[[pyrazin-2-yl(pyridin-2-yl)amino]methyl]benzoate;pyrazin-2-amine;N-pyridin-2-ylpyrazin-2-amine
CID 157831866
CID 157903132
CID 157903132
azane;2-bromo-5-fluoropyridine;N-(4-fluorophenyl)-1-methylbenzimidazol-2-amine;1-[4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenyl]-2-hydroxyethanone;1-methylbenzimidazol-2-amine;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]benzoate
CID 158075992
azane;2-bromo-5-fluoropyridine;N-(5-fluoro-2-pyridinyl)-1-methylbenzimidazol-2-amine;1-[4-[[(5-fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]methyl]phenyl]-2-hydroxyethanone;1-methylbenzimidazol-2-amine;methyl 4-[[(5-fluoro-2-pyridinyl)-(3-methyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]benzoate
CID 158188749

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine?
The IUPAC name of 2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine (CID 161309712) is 2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine.
What is the SMILES notation for 2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine?
The canonical SMILES for 2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine is Brc1ccccn1.C.COC(=O)c1ccc(CN(c2ccccn2)c2nc3ccccc3n2C)cc1.Cn1c(N(Cc2ccc(C(=O)NO)cc2)c2ccccn2)nc2ccccc21.Cn1c(N)nc2ccccc21.Cn1c(Nc2ccccn2)nc2ccccc21.
What is the InChIKey of 2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine?
The InChIKey is VISKGWXUPGVFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2.C21H19N5O2.C13H12N4.C8H9N3.C5H4BrN.CH4/c1-25-19-8-4-3-7-18(19)24-22(25)26(20-9-5-6-14-23-20)15-16-10-12-17(13-11-16)21(27)28-2;1-25-18-7-3-2-6-17(18)23-21(25)26(19-8-4-5-13-22-19)14-15-9-11-16(12-10-15)20(27)24-28;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;/h3-14H,15H2,1-2H3;2-13,28H,14H2,1H3,(H,24,27);2-9H,1H3,(H,14,15,16);2-5H,1H3,(H2,9,10);1-4H;1H4.
What are the key properties of 2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine?
2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine has a molecular weight of 1291.33 g/mol, XLogP of 13.87, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine;N-hydroxy-4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzamide;methane;1-methylbenzimidazol-2-amine;methyl 4-[[(1-methylbenzimidazol-2-yl)-pyridin-2-ylamino]methyl]benzoate;1-methyl-N-pyridin-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 161309712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).