2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate

C81H81Cl5N30O10 — CID 158839086

About 2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate

2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate (PubChem CID 158839086) has the molecular formula C81H81Cl5N30O10 and a molecular weight of 1812.00 g/mol. Its IUPAC name is 2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate.

Molecular Properties

• Compound Name: 2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate
• PubChem CID: 158839086
• Molecular Formula: C81H81Cl5N30O10
• Molecular Weight: 1812.00 g/mol
• Exact Mass: 1808.52
• IUPAC Name: 2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate
• SMILES: CC(=O)OCCn1cnc2c(-n3c(C)nc4ccccc43)nc(Cl)nc21.CC(=O)OCCn1cnc2c(-n3c(C)nc4ccccc43)nc(N3CCOCC3)nc21.CC(=O)OCCn1cnc2c(Cl)nc(Cl)nc21.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1ncn2CCO.OCCn1cnc2c(Cl)nc(Cl)nc21
• InChI: InChI=1S/C21H23N7O3.C19H21N7O2.C17H15ClN6O2.C9H8Cl2N4O2.C8H8N2.C7H6Cl2N4O/c1-14-23-16-5-3-4-6-17(16)28(14)20-18-19(27(13-22-18)9-12-31-15(2)29)24-21(25-20)26-7-10-30-11-8-26;1-13-21-14-4-2-3-5-15(14)26(13)18-16-17(25(6-9-27)12-20-16)22-19(23-18)24-7-10-28-11-8-24;1-10-20-12-5-3-4-6-13(12)24(10)16-14-15(21-17(18)22-16)23(9-19-14)7-8-26-11(2)25;1-5(16)17-3-2-15-4-12-6-7(10)13-9(11)14-8(6)15;1-6-9-7-4-2-3-5-8(7)10-6;8-5-4-6(12-7(9)11-5)13(1-2-14)3-10-4/h3-6,13H,7-12H2,1-2H3;2-5,12,27H,6-11H2,1H3;3-6,9H,7-8H2,1-2H3;4H,2-3H2,1H3;2-5H,1H3,(H,9,10);3,14H,1-2H2
• InChIKey: IXZVQVAVIVSXOB-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 444.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1812.00
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate?

The IUPAC name of 2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate (CID 158839086) is 2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate.

What is the SMILES notation for 2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate?

The canonical SMILES for 2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate is CC(=O)OCCn1cnc2c(-n3c(C)nc4ccccc43)nc(Cl)nc21.CC(=O)OCCn1cnc2c(-n3c(C)nc4ccccc43)nc(N3CCOCC3)nc21.CC(=O)OCCn1cnc2c(Cl)nc(Cl)nc21.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1ncn2CCO.OCCn1cnc2c(Cl)nc(Cl)nc21.

What is the InChIKey of 2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate?

The InChIKey is IXZVQVAVIVSXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3.C19H21N7O2.C17H15ClN6O2.C9H8Cl2N4O2.C8H8N2.C7H6Cl2N4O/c1-14-23-16-5-3-4-6-17(16)28(14)20-18-19(27(13-22-18)9-12-31-15(2)29)24-21(25-20)26-7-10-30-11-8-26;1-13-21-14-4-2-3-5-15(14)26(13)18-16-17(25(6-9-27)12-20-16)22-19(23-18)24-7-10-28-11-8-24;1-10-20-12-5-3-4-6-13(12)24(10)16-14-15(21-17(18)22-16)23(9-19-14)7-8-26-11(2)25;1-5(16)17-3-2-15-4-12-6-7(10)13-9(11)14-8(6)15;1-6-9-7-4-2-3-5-8(7)10-6;8-5-4-6(12-7(9)11-5)13(1-2-14)3-10-4/h3-6,13H,7-12H2,1-2H3;2-5,12,27H,6-11H2,1H3;3-6,9H,7-8H2,1-2H3;4H,2-3H2,1H3;2-5H,1H3,(H,9,10);3,14H,1-2H2.

What are the key properties of 2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate?

2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate has a molecular weight of 1812.00 g/mol, XLogP of 10.56, 18 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-6-(2-methylbenzimidazol-1-yl)purin-9-yl]ethyl acetate;2-(2,6-dichloropurin-9-yl)ethanol;2-(2,6-dichloropurin-9-yl)ethyl acetate;2-methyl-1H-benzimidazole;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol;2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethyl acetate is sourced from PubChem (CID 158839086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).