6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride

C79H96BBr2Cl4N15O9 — CID 157383513

IUPAC6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride
SMILESCNc1cc(Br)ccc1N.COCCC(=O)Cl.COCCc1cc2ccc(Br)cc2n1C.COCCc1nc2ccc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc2n1C.COCCc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1C.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C25H27ClN6O2.C17H25BN2O3.C14H14Cl2N4O.C12H14BrNO.C7H9BrN2.C4H7ClO2/c1-31-22-15-17(3-8-20(22)28-24(31)9-12-33-2)21-16-23(27-19-6-4-18(26)5-7-19)30-25(29-21)32-10-13-34-14-11-32;1-16(2)17(3,4)23-18(22-16)12-7-8-13-14(11-12)20(5)15(19-13)9-10-21-6;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-14-11(5-6-15-2)7-9-3-4-10(13)8-12(9)14;1-10-7-4-5(8)2-3-6(7)9;1-7-3-2-4(5)6/h3-8,15-16H,9-14H2,1-2H3,(H,27,29,30);7-8,11H,9-10H2,1-6H3;1-4,9H,5-8H2,(H,17,18,19);3-4,7-8H,5-6H2,1-2H3;2-4,10H,9H2,1H3;2-3H2,1H3
InChIKeyBLDVYPAJUDLRAC-UHFFFAOYSA-N
MW1712.16 g/mol
LogP15.87
Rot. Bonds21

About 6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride

6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride (PubChem CID 157383513) has the molecular formula C79H96BBr2Cl4N15O9 and a molecular weight of 1712.16 g/mol. Its IUPAC name is 6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride.

Molecular Properties

Compound Name6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride
PubChem CID157383513
Molecular FormulaC79H96BBr2Cl4N15O9
Molecular Weight1712.16 g/mol
Exact Mass1707.47
IUPAC Name6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride
SMILESCNc1cc(Br)ccc1N.COCCC(=O)Cl.COCCc1cc2ccc(Br)cc2n1C.COCCc1nc2ccc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc2n1C.COCCc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1C.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C25H27ClN6O2.C17H25BN2O3.C14H14Cl2N4O.C12H14BrNO.C7H9BrN2.C4H7ClO2/c1-31-22-15-17(3-8-20(22)28-24(31)9-12-33-2)21-16-23(27-19-6-4-18(26)5-7-19)30-25(29-21)32-10-13-34-14-11-32;1-16(2)17(3,4)23-18(22-16)12-7-8-13-14(11-12)20(5)15(19-13)9-10-21-6;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-14-11(5-6-15-2)7-9-3-4-10(13)8-12(9)14;1-10-7-4-5(8)2-3-6(7)9;1-7-3-2-4(5)6/h3-8,15-16H,9-14H2,1-2H3,(H,27,29,30);7-8,11H,9-10H2,1-6H3;1-4,9H,5-8H2,(H,17,18,19);3-4,7-8H,5-6H2,1-2H3;2-4,10H,9H2,1H3;2-3H2,1H3
InChIKeyBLDVYPAJUDLRAC-UHFFFAOYSA-N
XLogP15.87
TPSA251.63 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001712.16
LogP ≤ 515.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-1H-benzimidazole;6-bromo-2-methyl-1-(oxetan-3-yl)benzimidazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-1-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-methyl-3-(oxetan-3-yl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;3-iodooxetane;2-methyl-1-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 158863066
4-bromobenzene-1,2-diamine;6-bromo-1,3-dihydroindol-2-one;5-bromo-1,3-dimethylbenzimidazol-2-one;5-[6-(4-chloroanilino)-2-morpholin-4-ylpyrimidin-4-yl]-1,3-dimethylbenzimidazol-2-one;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;deuterio(iodo)methane;1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-2-one
CID 159514181
6-bromo-2-(3-chloropropyl)-1-methylbenzimidazole;4-bromo-2-N-methylbenzene-1,2-diamine;4-[3-(6-bromo-1-methylbenzimidazol-2-yl)propyl]morpholine;4-chlorobutanoyl chloride;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[3-methyl-2-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;4-[3-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-2-yl]propyl]morpholine;morpholine
CID 160362826

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride?
The IUPAC name of 6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride (CID 157383513) is 6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride.
What is the SMILES notation for 6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride?
The canonical SMILES for 6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride is CNc1cc(Br)ccc1N.COCCC(=O)Cl.COCCc1cc2ccc(Br)cc2n1C.COCCc1nc2ccc(-c3cc(Nc4ccc(Cl)cc4)nc(N4CCOCC4)n3)cc2n1C.COCCc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1C.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride?
The InChIKey is BLDVYPAJUDLRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O2.C17H25BN2O3.C14H14Cl2N4O.C12H14BrNO.C7H9BrN2.C4H7ClO2/c1-31-22-15-17(3-8-20(22)28-24(31)9-12-33-2)21-16-23(27-19-6-4-18(26)5-7-19)30-25(29-21)32-10-13-34-14-11-32;1-16(2)17(3,4)23-18(22-16)12-7-8-13-14(11-12)20(5)15(19-13)9-10-21-6;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;1-14-11(5-6-15-2)7-9-3-4-10(13)8-12(9)14;1-10-7-4-5(8)2-3-6(7)9;1-7-3-2-4(5)6/h3-8,15-16H,9-14H2,1-2H3,(H,27,29,30);7-8,11H,9-10H2,1-6H3;1-4,9H,5-8H2,(H,17,18,19);3-4,7-8H,5-6H2,1-2H3;2-4,10H,9H2,1H3;2-3H2,1H3.
What are the key properties of 6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride?
6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride has a molecular weight of 1712.16 g/mol, XLogP of 15.87, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methoxyethyl)-1-methylindole;4-bromo-2-N-methylbenzene-1,2-diamine;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(2-methoxyethyl)-3-methylbenzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(2-methoxyethyl)-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole;3-methoxypropanoyl chloride is sourced from PubChem (CID 157383513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).