1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine

C80H86ClN18O5+ — CID 157383557

About 1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine

1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine (PubChem CID 157383557) has the molecular formula C80H86ClN18O5+ and a molecular weight of 1415.14 g/mol. Its IUPAC name is 1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine.

Molecular Properties

• Compound Name: 1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine
• PubChem CID: 157383557
• Molecular Formula: C80H86ClN18O5+
• Molecular Weight: 1415.14 g/mol
• Exact Mass: 1413.67
• IUPAC Name: 1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine
• SMILES: CCCCc1nc2c(N)nccc2n1Cc1ccccc1.CCCCc1nc2c[n+](O)ccc2n1Cc1ccccc1.CCCCc1nc2cnccc2n1Cc1ccccc1.Nc1cnccc1NCc1ccccc1.O=[N+]([O-])c1cnccc1Cl.O=[N+]([O-])c1cnccc1NCc1ccccc1
• InChI: InChI=1S/C17H20N4.C17H20N3O.C17H19N3.C12H11N3O2.C12H13N3.C5H3ClN2O2/c1-2-3-9-15-20-16-14(10-11-19-17(16)18)21(15)12-13-7-5-4-6-8-13;1-2-3-9-17-18-15-13-19(21)11-10-16(15)20(17)12-14-7-5-4-6-8-14;1-2-3-9-17-19-15-12-18-11-10-16(15)20(17)13-14-7-5-4-6-8-14;16-15(17)12-9-13-7-6-11(12)14-8-10-4-2-1-3-5-10;13-11-9-14-7-6-12(11)15-8-10-4-2-1-3-5-10;6-4-1-2-7-3-5(4)8(9)10/h4-8,10-11H,2-3,9,12H2,1H3,(H2,18,19);4-8,10-11,13,21H,2-3,9,12H2,1H3;4-8,10-12H,2-3,9,13H2,1H3;1-7,9H,8H2,(H,13,14);1-7,9H,8,13H2,(H,14,15);1-3H/q;+1
• InChIKey: YAZJUVWXEKQIED-UHFFFAOYSA-N
• XLogP: 16.70
• TPSA: 304.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1415.14
LogP ≤ 5	16.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine?

The IUPAC name of 1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine (CID 157383557) is 1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine.

What is the SMILES notation for 1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine?

The canonical SMILES for 1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine is CCCCc1nc2c(N)nccc2n1Cc1ccccc1.CCCCc1nc2c[n+](O)ccc2n1Cc1ccccc1.CCCCc1nc2cnccc2n1Cc1ccccc1.Nc1cnccc1NCc1ccccc1.O=[N+]([O-])c1cnccc1Cl.O=[N+]([O-])c1cnccc1NCc1ccccc1.

What is the InChIKey of 1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine?

The InChIKey is YAZJUVWXEKQIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4.C17H20N3O.C17H19N3.C12H11N3O2.C12H13N3.C5H3ClN2O2/c1-2-3-9-15-20-16-14(10-11-19-17(16)18)21(15)12-13-7-5-4-6-8-13;1-2-3-9-17-18-15-13-19(21)11-10-16(15)20(17)12-14-7-5-4-6-8-14;1-2-3-9-17-19-15-12-18-11-10-16(15)20(17)13-14-7-5-4-6-8-14;16-15(17)12-9-13-7-6-11(12)14-8-10-4-2-1-3-5-10;13-11-9-14-7-6-12(11)15-8-10-4-2-1-3-5-10;6-4-1-2-7-3-5(4)8(9)10/h4-8,10-11H,2-3,9,12H2,1H3,(H2,18,19);4-8,10-11,13,21H,2-3,9,12H2,1H3;4-8,10-12H,2-3,9,13H2,1H3;1-7,9H,8H2,(H,13,14);1-7,9H,8,13H2,(H,14,15);1-3H/q;+1;;;;.

What are the key properties of 1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine?

1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine has a molecular weight of 1415.14 g/mol, XLogP of 16.70, 23 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine is sourced from PubChem (CID 157383557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).