2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide
C129H120N22O6 — CID 157212726
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc3nc[nH]c3c2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2cnc[nH]2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(N2CCN(C)CC2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(NCCO)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1
InChIInChI=1S/C30H25N5O.C27H29N5O.C26H23N5O.C24H24N4O2.C22H19N3O/c1-19-5-11-25(23(14-19)15-21-6-12-26-27(16-21)32-18-31-26)30(36)33-24-9-7-22(8-10-24)28-17-35-13-3-4-20(2)29(35)34-28;1-19-6-11-23(25(17-19)31-15-13-30(3)14-16-31)27(33)28-22-9-7-21(8-10-22)24-18-32-12-4-5-20(2)26(32)29-24;1-17-5-10-23(20(12-17)13-22-14-27-16-28-22)26(32)29-21-8-6-19(7-9-21)24-15-31-11-3-4-18(2)25(31)30-24;1-16-5-10-20(21(14-16)25-11-13-29)24(30)26-19-8-6-18(7-9-19)22-15-28-12-3-4-17(2)23(28)27-22;1-15-5-7-18(8-6-15)22(26)23-19-11-9-17(10-12-19)20-14-25-13-3-4-16(2)21(25)24-20/h3-14,16-18H,15H2,1-2H3,(H,31,32)(H,33,36);4-12,17-18H,13-16H2,1-3H3,(H,28,33);3-12,14-16H,13H2,1-2H3,(H,27,28)(H,29,32);3-10,12,14-15,25,29H,11,13H2,1-2H3,(H,26,30);3-14H,1-2H3,(H,23,26)
InChIKeyASBLHBAZFBIKPS-UHFFFAOYSA-N
MW2074.53 g/mol
LogP25.29
Rot. Bonds23
About 2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide
2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide (PubChem CID 157212726) has the molecular formula C129H120N22O6 and a molecular weight of 2074.53 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide.
Molecular Properties
| Compound Name | 2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide |
|---|---|
| PubChem CID | 157212726 |
| Molecular Formula | C129H120N22O6 |
| Molecular Weight | 2074.53 g/mol |
| Exact Mass | 2072.98 |
| IUPAC Name | 2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide |
| SMILES | Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc3nc[nH]c3c2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2cnc[nH]2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(N2CCN(C)CC2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(NCCO)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1 |
| InChI | InChI=1S/C30H25N5O.C27H29N5O.C26H23N5O.C24H24N4O2.C22H19N3O/c1-19-5-11-25(23(14-19)15-21-6-12-26-27(16-21)32-18-31-26)30(36)33-24-9-7-22(8-10-24)28-17-35-13-3-4-20(2)29(35)34-28;1-19-6-11-23(25(17-19)31-15-13-30(3)14-16-31)27(33)28-22-9-7-21(8-10-22)24-18-32-12-4-5-20(2)26(32)29-24;1-17-5-10-23(20(12-17)13-22-14-27-16-28-22)26(32)29-21-8-6-19(7-9-21)24-15-31-11-3-4-18(2)25(31)30-24;1-16-5-10-20(21(14-16)25-11-13-29)24(30)26-19-8-6-18(7-9-19)22-15-28-12-3-4-17(2)23(28)27-22;1-15-5-7-18(8-6-15)22(26)23-19-11-9-17(10-12-19)20-14-25-13-3-4-16(2)21(25)24-20/h3-14,16-18H,15H2,1-2H3,(H,31,32)(H,33,36);4-12,17-18H,13-16H2,1-3H3,(H,28,33);3-12,14-16H,13H2,1-2H3,(H,27,28)(H,29,32);3-10,12,14-15,25,29H,11,13H2,1-2H3,(H,26,30);3-14H,1-2H3,(H,23,26) |
| InChIKey | ASBLHBAZFBIKPS-UHFFFAOYSA-N |
| XLogP | 25.29 |
| TPSA | 328.10 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 157 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2074.53 |
| LogP ≤ 5 | 25.29 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 21 |
Frequently Asked Questions
What is the IUPAC name of 2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide (CID 157212726) is 2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide is Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc3nc[nH]c3c2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2cnc[nH]2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(N2CCN(C)CC2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(NCCO)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is ASBLHBAZFBIKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O.C27H29N5O.C26H23N5O.C24H24N4O2.C22H19N3O/c1-19-5-11-25(23(14-19)15-21-6-12-26-27(16-21)32-18-31-26)30(36)33-24-9-7-22(8-10-24)28-17-35-13-3-4-20(2)29(35)34-28;1-19-6-11-23(25(17-19)31-15-13-30(3)14-16-31)27(33)28-22-9-7-21(8-10-22)24-18-32-12-4-5-20(2)26(32)29-24;1-17-5-10-23(20(12-17)13-22-14-27-16-28-22)26(32)29-21-8-6-19(7-9-21)24-15-31-11-3-4-18(2)25(31)30-24;1-16-5-10-20(21(14-16)25-11-13-29)24(30)26-19-8-6-18(7-9-19)22-15-28-12-3-4-17(2)23(28)27-22;1-15-5-7-18(8-6-15)22(26)23-19-11-9-17(10-12-19)20-14-25-13-3-4-16(2)21(25)24-20/h3-14,16-18H,15H2,1-2H3,(H,31,32)(H,33,36);4-12,17-18H,13-16H2,1-3H3,(H,28,33);3-12,14-16H,13H2,1-2H3,(H,27,28)(H,29,32);3-10,12,14-15,25,29H,11,13H2,1-2H3,(H,26,30);3-14H,1-2H3,(H,23,26).
What are the key properties of 2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide?
2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 2074.53 g/mol, XLogP of 25.29, 23 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(2-hydroxyethylamino)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;2-(1H-imidazol-5-ylmethyl)-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 157212726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157212726 — identifiers, structure, computed properties (public domain)
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