1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride

C78H88Br2Cl2N18O6 — CID 158033282

About 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride

1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride (PubChem CID 158033282) has the molecular formula C78H88Br2Cl2N18O6 and a molecular weight of 1604.40 g/mol. Its IUPAC name is 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride
• PubChem CID: 158033282
• Molecular Formula: C78H88Br2Cl2N18O6
• Molecular Weight: 1604.40 g/mol
• Exact Mass: 1600.49
• IUPAC Name: 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride
• SMILES: Brc1cnc2nc(N3CCOCC3)n(Cc3ccccc3)c2c1.C1COCCN1.C=CC(=O)Cl.C=CC(=O)N(C)c1cnc2nc(N3CCOCC3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(N3CCOCC3)n(Cc3ccccc3)c2c1.CN.Clc1nc2ncc(Br)cc2n1Cc1ccccc1
• InChI: InChI=1S/C21H23N5O2.C19H22N4O.C17H17BrN4O.C13H9BrClN3.C4H9NO.C3H3ClO.CH5N/c1-3-19(27)24(2)17-13-18-20(22-14-17)23-21(25-9-11-28-12-10-25)26(18)15-16-7-5-4-6-8-16;1-2-15-12-17-18(20-13-15)21-19(22-8-10-24-11-9-22)23(17)14-16-6-4-3-5-7-16;18-14-10-15-16(19-11-14)20-17(21-6-8-23-9-7-21)22(15)12-13-4-2-1-3-5-13;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;1-3-6-4-2-5-1;1-2-3(4)5;1-2/h3-8,13-14H,1,9-12,15H2,2H3;3-7,12-13H,2,8-11,14H2,1H3;1-5,10-11H,6-9,12H2;1-7H,8H2;5H,1-4H2;2H,1H2;2H2,1H3
• InChIKey: FHLCGSPXVHVWPC-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 244.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1604.40
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride?

The IUPAC name of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride (CID 158033282) is 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride.

What is the SMILES notation for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride?

The canonical SMILES for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride is Brc1cnc2nc(N3CCOCC3)n(Cc3ccccc3)c2c1.C1COCCN1.C=CC(=O)Cl.C=CC(=O)N(C)c1cnc2nc(N3CCOCC3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(N3CCOCC3)n(Cc3ccccc3)c2c1.CN.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.

What is the InChIKey of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride?

The InChIKey is FHLCGSPXVHVWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.C19H22N4O.C17H17BrN4O.C13H9BrClN3.C4H9NO.C3H3ClO.CH5N/c1-3-19(27)24(2)17-13-18-20(22-14-17)23-21(25-9-11-28-12-10-25)26(18)15-16-7-5-4-6-8-16;1-2-15-12-17-18(20-13-15)21-19(22-8-10-24-11-9-22)23(17)14-16-6-4-3-5-7-16;18-14-10-15-16(19-11-14)20-17(21-6-8-23-9-7-21)22(15)12-13-4-2-1-3-5-13;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;1-3-6-4-2-5-1;1-2-3(4)5;1-2/h3-8,13-14H,1,9-12,15H2,2H3;3-7,12-13H,2,8-11,14H2,1H3;1-5,10-11H,6-9,12H2;1-7H,8H2;5H,1-4H2;2H,1H2;2H2,1H3.

What are the key properties of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride?

1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride has a molecular weight of 1604.40 g/mol, XLogP of 12.44, 15 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;4-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)morpholine;4-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)morpholine;N-(1-benzyl-2-morpholin-4-ylimidazo[4,5-b]pyridin-6-yl)-N-methylprop-2-enamide;methanamine;morpholine;prop-2-enoyl chloride is sourced from PubChem (CID 158033282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).