C146H147N15O17 — CID 159730234
pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide (PubChem CID 159730234) has the molecular formula C146H147N15O17 and a molecular weight of 2383.87 g/mol. Its IUPAC name is pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide.
| Compound Name | pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 159730234 |
| Molecular Formula | C146H147N15O17 |
| Molecular Weight | 2383.87 g/mol |
| Exact Mass | 2382.11 |
| IUPAC Name | pentakis(carbon dioxide);N-(2-ethoxyethyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(3-methoxypropyl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(5-methylhexan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;N-(4-methylpentan-2-yl)-1-[(4-phenylphenyl)methyl]benzimidazole-5-carboxamide;2-methyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]benzimidazole-5-carboxamide |
| SMILES | CC(C)CC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CC(C)CCC(C)NC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.CCOCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.COCCCNC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2)cc1.Cc1nc2cc(C(=O)NC3(c4cccc(C(C)C)c4)CCCC3)ccc2n1Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O |
| InChI | InChI=1S/C36H37N3O.C28H31N3O.C27H29N3O.2C25H25N3O2.5CO2/c1-25(2)30-12-9-13-32(22-30)36(20-7-8-21-36)38-35(40)31-18-19-34-33(23-31)37-26(3)39(34)24-27-14-16-29(17-15-27)28-10-5-4-6-11-28;1-20(2)9-10-21(3)30-28(32)25-15-16-27-26(17-25)29-19-31(27)18-22-11-13-24(14-12-22)23-7-5-4-6-8-23;1-19(2)15-20(3)29-27(31)24-13-14-26-25(16-24)28-18-30(26)17-21-9-11-23(12-10-21)22-7-5-4-6-8-22;1-30-15-5-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-3-2-4-7-20;1-2-30-15-14-26-25(29)22-12-13-24-23(16-22)27-18-28(24)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20;5*2-1-3/h4-6,9-19,22-23,25H,7-8,20-21,24H2,1-3H3,(H,38,40);4-8,11-17,19-21H,9-10,18H2,1-3H3,(H,30,32);4-14,16,18-20H,15,17H2,1-3H3,(H,29,31);2-4,6-13,16,18H,5,14-15,17H2,1H3,(H,26,29);3-13,16,18H,2,14-15,17H2,1H3,(H,26,29);;;;; |
| InChIKey | NBDMDUCJBQLERZ-UHFFFAOYSA-N |
| XLogP | 26.72 |
| TPSA | 423.76 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 178 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2383.87 |
| LogP ≤ 5 | 26.72 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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