sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine

C121H132Br8N18NaO14+ — CID 158618928

IUPACsodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine
SMILESBrBr.CC1Nc2c(OCc3ccccc3)cc(Br)c[n+]2C1C.CCOC(=O)C1CC(=O)c2nc(C)c(C)n2C1.CCOC(=O)c1cc(OCc2ccccc2)c2nc(C)c(C)n2c1.COCC1CC(=O)c2nc(C)c(C)n2C1.COCc1cc(OCc2ccccc2)c2nc(C)c(C)n2c1.Cc1nc2c(Br)cc(Br)cn2c1C.Nc1ncc(Br)cc1Br.Nc1ncc(Br)cc1OCc1ccccc1.Nc1ncccc1OCc1ccccc1.[Na+].[O-]Cc1ccccc1
InChIInChI=1S/C19H20N2O3.C18H20N2O2.C16H17BrN2O.C12H11BrN2O.C12H16N2O3.C12H12N2O.C11H16N2O2.C9H8Br2N2.C7H7O.C5H4Br2N2.Br2.Na/c1-4-23-19(22)16-10-17(24-12-15-8-6-5-7-9-15)18-20-13(2)14(3)21(18)11-16;1-13-14(2)20-10-16(11-21-3)9-17(18(20)19-13)22-12-15-7-5-4-6-8-15;1-11-12(2)19-9-14(17)8-15(16(19)18-11)20-10-13-6-4-3-5-7-13;13-10-6-11(12(14)15-7-10)16-8-9-4-2-1-3-5-9;1-4-17-12(16)9-5-10(15)11-13-7(2)8(3)14(11)6-9;13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10;1-7-8(2)13-5-9(6-15-3)4-10(14)11(13)12-7;1-5-6(2)13-4-7(10)3-8(11)9(13)12-5;8-6-7-4-2-1-3-5-7;6-3-1-4(7)5(8)9-2-3;1-2;/h5-11H,4,12H2,1-3H3;4-10H,11-12H2,1-3H3;3-9,11-12H,10H2,1-2H3;1-7H,8H2,(H2,14,15);9H,4-6H2,1-3H3;1-8H,9H2,(H2,13,14);9H,4-6H2,1-3H3;3-4H,1-2H3;1-5H,6H2;1-2H,(H2,8,9);;/q;;;;;;;;-1;;;+1/p+1
InChIKeyAISXAPDDPCAVMJ-UHFFFAOYSA-O
MW2724.72 g/mol
LogP23.84
Rot. Bonds24

About sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine

sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine (PubChem CID 158618928) has the molecular formula C121H132Br8N18NaO14+ and a molecular weight of 2724.72 g/mol. Its IUPAC name is sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound Namesodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine
PubChem CID158618928
Molecular FormulaC121H132Br8N18NaO14+
Molecular Weight2724.72 g/mol
Exact Mass2715.35
IUPAC Namesodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine
SMILESBrBr.CC1Nc2c(OCc3ccccc3)cc(Br)c[n+]2C1C.CCOC(=O)C1CC(=O)c2nc(C)c(C)n2C1.CCOC(=O)c1cc(OCc2ccccc2)c2nc(C)c(C)n2c1.COCC1CC(=O)c2nc(C)c(C)n2C1.COCc1cc(OCc2ccccc2)c2nc(C)c(C)n2c1.Cc1nc2c(Br)cc(Br)cn2c1C.Nc1ncc(Br)cc1Br.Nc1ncc(Br)cc1OCc1ccccc1.Nc1ncccc1OCc1ccccc1.[Na+].[O-]Cc1ccccc1
InChIInChI=1S/C19H20N2O3.C18H20N2O2.C16H17BrN2O.C12H11BrN2O.C12H16N2O3.C12H12N2O.C11H16N2O2.C9H8Br2N2.C7H7O.C5H4Br2N2.Br2.Na/c1-4-23-19(22)16-10-17(24-12-15-8-6-5-7-9-15)18-20-13(2)14(3)21(18)11-16;1-13-14(2)20-10-16(11-21-3)9-17(18(20)19-13)22-12-15-7-5-4-6-8-15;1-11-12(2)19-9-14(17)8-15(16(19)18-11)20-10-13-6-4-3-5-7-13;13-10-6-11(12(14)15-7-10)16-8-9-4-2-1-3-5-9;1-4-17-12(16)9-5-10(15)11-13-7(2)8(3)14(11)6-9;13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10;1-7-8(2)13-5-9(6-15-3)4-10(14)11(13)12-7;1-5-6(2)13-4-7(10)3-8(11)9(13)12-5;8-6-7-4-2-1-3-5-7;6-3-1-4(7)5(8)9-2-3;1-2;/h5-11H,4,12H2,1-3H3;4-10H,11-12H2,1-3H3;3-9,11-12H,10H2,1-2H3;1-7H,8H2,(H2,14,15);9H,4-6H2,1-3H3;1-8H,9H2,(H2,13,14);9H,4-6H2,1-3H3;3-4H,1-2H3;1-5H,6H2;1-2H,(H2,8,9);;/q;;;;;;;;-1;;;+1/p+1
InChIKeyAISXAPDDPCAVMJ-UHFFFAOYSA-O
XLogP23.84
TPSA394.59 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002724.72
LogP ≤ 523.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine?
The IUPAC name of sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine (CID 158618928) is sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine.
What is the SMILES notation for sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine?
The canonical SMILES for sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine is BrBr.CC1Nc2c(OCc3ccccc3)cc(Br)c[n+]2C1C.CCOC(=O)C1CC(=O)c2nc(C)c(C)n2C1.CCOC(=O)c1cc(OCc2ccccc2)c2nc(C)c(C)n2c1.COCC1CC(=O)c2nc(C)c(C)n2C1.COCc1cc(OCc2ccccc2)c2nc(C)c(C)n2c1.Cc1nc2c(Br)cc(Br)cn2c1C.Nc1ncc(Br)cc1Br.Nc1ncc(Br)cc1OCc1ccccc1.Nc1ncccc1OCc1ccccc1.[Na+].[O-]Cc1ccccc1.
What is the InChIKey of sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine?
The InChIKey is AISXAPDDPCAVMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20N2O3.C18H20N2O2.C16H17BrN2O.C12H11BrN2O.C12H16N2O3.C12H12N2O.C11H16N2O2.C9H8Br2N2.C7H7O.C5H4Br2N2.Br2.Na/c1-4-23-19(22)16-10-17(24-12-15-8-6-5-7-9-15)18-20-13(2)14(3)21(18)11-16;1-13-14(2)20-10-16(11-21-3)9-17(18(20)19-13)22-12-15-7-5-4-6-8-15;1-11-12(2)19-9-14(17)8-15(16(19)18-11)20-10-13-6-4-3-5-7-13;13-10-6-11(12(14)15-7-10)16-8-9-4-2-1-3-5-9;1-4-17-12(16)9-5-10(15)11-13-7(2)8(3)14(11)6-9;13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10;1-7-8(2)13-5-9(6-15-3)4-10(14)11(13)12-7;1-5-6(2)13-4-7(10)3-8(11)9(13)12-5;8-6-7-4-2-1-3-5-7;6-3-1-4(7)5(8)9-2-3;1-2;/h5-11H,4,12H2,1-3H3;4-10H,11-12H2,1-3H3;3-9,11-12H,10H2,1-2H3;1-7H,8H2,(H2,14,15);9H,4-6H2,1-3H3;1-8H,9H2,(H2,13,14);9H,4-6H2,1-3H3;3-4H,1-2H3;1-5H,6H2;1-2H,(H2,8,9);;/q;;;;;;;;-1;;;+1/p+1.
What are the key properties of sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine?
sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine has a molecular weight of 2724.72 g/mol, XLogP of 23.84, 24 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-bromo-2,3-dimethyl-8-phenylmethoxy-2,3-dihydro-1H-imidazo[1,2-a]pyridin-4-ium;5-bromo-3-phenylmethoxypyridin-2-amine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;ethyl 2,3-dimethyl-8-oxo-6,7-dihydro-5H-imidazo[1,2-a]pyridine-6-carboxylate;ethyl 2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylate;6-(methoxymethyl)-2,3-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-8-one;6-(methoxymethyl)-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;molecular bromine;phenylmethanolate;3-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 158618928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).