1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide

C135H135N33O21 — CID 158681174

About 1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide

1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide (PubChem CID 158681174) has the molecular formula C135H135N33O21 and a molecular weight of 2555.77 g/mol. Its IUPAC name is 1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide.

Molecular Properties

• Compound Name: 1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide
• PubChem CID: 158681174
• Molecular Formula: C135H135N33O21
• Molecular Weight: 2555.77 g/mol
• Exact Mass: 2554.05
• IUPAC Name: 1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide
• SMILES: COc1cc(Nc2nccc(-n3c(=O)[nH]c4ccccc43)n2)cc(OC)c1OC.COc1cc(Nc2nccc(-n3c(N)nc4ccccc43)n2)cc(OC)c1OC.COc1cc(Nc2nccc(-n3c(N)nc4ccccc43)n2)cc(OCCN2CCOCC2)c1OC.COc1cc(Nc2nccc(-n3c(Nc4ccccc4)nc4ccccc43)n2)cc(OC)c1OC.COc1cc(Nc2nccc(-n3cc(CC(N)=O)c4ccccc43)n2)cc(OC)c1OC.COc1cc(Nc2nccc(-n3ccc4ccccc43)n2)cc(OC)c1OC
• InChI: InChI=1S/C26H24N6O3.C25H29N7O4.C23H23N5O4.C21H20N4O3.C20H20N6O3.C20H19N5O4/c1-33-21-15-18(16-22(34-2)24(21)35-3)28-25-27-14-13-23(31-25)32-20-12-8-7-11-19(20)30-26(32)29-17-9-5-4-6-10-17;1-33-20-15-17(16-21(23(20)34-2)36-14-11-31-9-12-35-13-10-31)28-25-27-8-7-22(30-25)32-19-6-4-3-5-18(19)29-24(32)26;1-30-18-11-15(12-19(31-2)22(18)32-3)26-23-25-9-8-21(27-23)28-13-14(10-20(24)29)16-6-4-5-7-17(16)28;1-26-17-12-15(13-18(27-2)20(17)28-3)23-21-22-10-8-19(24-21)25-11-9-14-6-4-5-7-16(14)25;1-27-15-10-12(11-16(28-2)18(15)29-3)23-20-22-9-8-17(25-20)26-14-7-5-4-6-13(14)24-19(26)21;1-27-15-10-12(11-16(28-2)18(15)29-3)22-19-21-9-8-17(24-19)25-14-7-5-4-6-13(14)23-20(25)26/h4-16H,1-3H3,(H,29,30)(H,27,28,31);3-8,15-16H,9-14H2,1-2H3,(H2,26,29)(H,27,28,30);4-9,11-13H,10H2,1-3H3,(H2,24,29)(H,25,26,27);4-13H,1-3H3,(H,22,23,24);4-11H,1-3H3,(H2,21,24)(H,22,23,25);4-11H,1-3H3,(H,23,26)(H,21,22,24)
• InChIKey: IFDMFUNIFCGSFY-UHFFFAOYSA-N
• XLogP: 21.65
• TPSA: 613.74 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 52
• Rotatable Bonds: 43
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2555.77
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide?

The IUPAC name of 1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide (CID 158681174) is 1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide.

What is the SMILES notation for 1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide?

The canonical SMILES for 1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide is COc1cc(Nc2nccc(-n3c(=O)[nH]c4ccccc43)n2)cc(OC)c1OC.COc1cc(Nc2nccc(-n3c(N)nc4ccccc43)n2)cc(OC)c1OC.COc1cc(Nc2nccc(-n3c(N)nc4ccccc43)n2)cc(OCCN2CCOCC2)c1OC.COc1cc(Nc2nccc(-n3c(Nc4ccccc4)nc4ccccc43)n2)cc(OC)c1OC.COc1cc(Nc2nccc(-n3cc(CC(N)=O)c4ccccc43)n2)cc(OC)c1OC.COc1cc(Nc2nccc(-n3ccc4ccccc43)n2)cc(OC)c1OC.

What is the InChIKey of 1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide?

The InChIKey is IFDMFUNIFCGSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3.C25H29N7O4.C23H23N5O4.C21H20N4O3.C20H20N6O3.C20H19N5O4/c1-33-21-15-18(16-22(34-2)24(21)35-3)28-25-27-14-13-23(31-25)32-20-12-8-7-11-19(20)30-26(32)29-17-9-5-4-6-10-17;1-33-20-15-17(16-21(23(20)34-2)36-14-11-31-9-12-35-13-10-31)28-25-27-8-7-22(30-25)32-19-6-4-3-5-18(19)29-24(32)26;1-30-18-11-15(12-19(31-2)22(18)32-3)26-23-25-9-8-21(27-23)28-13-14(10-20(24)29)16-6-4-5-7-17(16)28;1-26-17-12-15(13-18(27-2)20(17)28-3)23-21-22-10-8-19(24-21)25-11-9-14-6-4-5-7-16(14)25;1-27-15-10-12(11-16(28-2)18(15)29-3)23-20-22-9-8-17(25-20)26-14-7-5-4-6-13(14)24-19(26)21;1-27-15-10-12(11-16(28-2)18(15)29-3)22-19-21-9-8-17(24-19)25-14-7-5-4-6-13(14)23-20(25)26/h4-16H,1-3H3,(H,29,30)(H,27,28,31);3-8,15-16H,9-14H2,1-2H3,(H2,26,29)(H,27,28,30);4-9,11-13H,10H2,1-3H3,(H2,24,29)(H,25,26,27);4-13H,1-3H3,(H,22,23,24);4-11H,1-3H3,(H2,21,24)(H,22,23,25);4-11H,1-3H3,(H,23,26)(H,21,22,24).

What are the key properties of 1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide?

1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide has a molecular weight of 2555.77 g/mol, XLogP of 21.65, 43 rotatable bonds, 11 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3,4-dimethoxy-5-(2-morpholin-4-ylethoxy)anilino]pyrimidin-4-yl]benzimidazol-2-amine;4-indol-1-yl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;N-phenyl-1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]benzimidazol-2-amine;3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1H-benzimidazol-2-one;2-[1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]indol-3-yl]acetamide is sourced from PubChem (CID 158681174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).