1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride

C81H92Br2Cl2N18O2 — CID 160522210

About 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride

1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride (PubChem CID 160522210) has the molecular formula C81H92Br2Cl2N18O2 and a molecular weight of 1580.46 g/mol. Its IUPAC name is 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride
• PubChem CID: 160522210
• Molecular Formula: C81H92Br2Cl2N18O2
• Molecular Weight: 1580.46 g/mol
• Exact Mass: 1576.54
• IUPAC Name: 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride
• SMILES: Brc1cnc2nc(N3CC=CC3)n(Cc3ccccc3)c2c1.C.C.C.C1=CCNC1.C=CC(=O)Cl.C=CC(=O)N(C)c1cnc2nc(N3CC=CC3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(N3CC=CC3)n(Cc3ccccc3)c2c1.CN.Clc1nc2ncc(Br)cc2n1Cc1ccccc1
• InChI: InChI=1S/C21H21N5O.C19H20N4.C17H15BrN4.C13H9BrClN3.C4H7N.C3H3ClO.CH5N.3CH4/c1-3-19(27)24(2)17-13-18-20(22-14-17)23-21(25-11-7-8-12-25)26(18)15-16-9-5-4-6-10-16;1-2-15-12-17-18(20-13-15)21-19(22-10-6-7-11-22)23(17)14-16-8-4-3-5-9-16;18-14-10-15-16(19-11-14)20-17(21-8-4-5-9-21)22(15)12-13-6-2-1-3-7-13;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;1-2-4-5-3-1;1-2-3(4)5;1-2;;;/h3-10,13-14H,1,11-12,15H2,2H3;3-9,12-13H,2,10-11,14H2,1H3;1-7,10-11H,8-9,12H2;1-7H,8H2;1-2,5H,3-4H2;2H,1H2;2H2,1H3;3*1H4
• InChIKey: QUKPHEVGJIJTFI-UHFFFAOYSA-N
• XLogP: 16.50
• TPSA: 207.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1580.46
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride?

The IUPAC name of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride (CID 160522210) is 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride.

What is the SMILES notation for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride?

The canonical SMILES for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride is Brc1cnc2nc(N3CC=CC3)n(Cc3ccccc3)c2c1.C.C.C.C1=CCNC1.C=CC(=O)Cl.C=CC(=O)N(C)c1cnc2nc(N3CC=CC3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(N3CC=CC3)n(Cc3ccccc3)c2c1.CN.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.

What is the InChIKey of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride?

The InChIKey is QUKPHEVGJIJTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O.C19H20N4.C17H15BrN4.C13H9BrClN3.C4H7N.C3H3ClO.CH5N.3CH4/c1-3-19(27)24(2)17-13-18-20(22-14-17)23-21(25-11-7-8-12-25)26(18)15-16-9-5-4-6-10-16;1-2-15-12-17-18(20-13-15)21-19(22-10-6-7-11-22)23(17)14-16-8-4-3-5-9-16;18-14-10-15-16(19-11-14)20-17(21-8-4-5-9-21)22(15)12-13-6-2-1-3-7-13;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;1-2-4-5-3-1;1-2-3(4)5;1-2;;;/h3-10,13-14H,1,11-12,15H2,2H3;3-9,12-13H,2,10-11,14H2,1H3;1-7,10-11H,8-9,12H2;1-7H,8H2;1-2,5H,3-4H2;2H,1H2;2H2,1H3;3*1H4.

What are the key properties of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride?

1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride has a molecular weight of 1580.46 g/mol, XLogP of 16.50, 15 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridine;1-benzyl-2-(2,5-dihydropyrrol-1-yl)-6-ethylimidazo[4,5-b]pyridine;N-[1-benzyl-2-(2,5-dihydropyrrol-1-yl)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;2,5-dihydro-1H-pyrrole;methanamine;methane;prop-2-enoyl chloride is sourced from PubChem (CID 160522210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).