C158H169Cl10F2N21O8 — CID 157300648
3-chloro-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;2-chloro-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;3-chloro-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3,4-dimethyl-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methyl-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide (PubChem CID 157300648) has the molecular formula C158H169Cl10F2N21O8 and a molecular weight of 2882.75 g/mol. Its IUPAC name is 3-chloro-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;2-chloro-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;3-chloro-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3,4-dimethyl-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methyl-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide.
| Compound Name | 3-chloro-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;2-chloro-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;3-chloro-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3,4-dimethyl-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methyl-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide |
|---|---|
| PubChem CID | 157300648 |
| Molecular Formula | C158H169Cl10F2N21O8 |
| Molecular Weight | 2882.75 g/mol |
| Exact Mass | 2876.03 |
| IUPAC Name | 3-chloro-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-prop-2-enylbenzamide;2-chloro-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;3-chloro-N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3,4-dimethyl-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methyl-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2-fluoro-N-propylbenzamide;N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide |
| SMILES | C=CCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(Cl)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1ccc(C)c(C)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1ccc(C)c(F)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(Cl)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1cccc(OC)c1.CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1ccccc1Cl.CCCN(Cc1nc2ccc(Cl)cc2n1CC1CC1)C(=O)c1ccccc1F |
| InChI | InChI=1S/C24H28ClN3O.C23H25ClFN3O.C23H26ClN3O2.C22H23Cl2N3O.C22H21Cl2N3O.C22H23Cl2N3O.C22H23ClFN3O/c1-4-11-27(24(29)19-8-5-16(2)17(3)12-19)15-23-26-21-10-9-20(25)13-22(21)28(23)14-18-6-7-18;1-3-10-27(23(29)17-7-4-15(2)19(25)11-17)14-22-26-20-9-8-18(24)12-21(20)28(22)13-16-5-6-16;1-3-11-26(23(28)17-5-4-6-19(12-17)29-2)15-22-25-20-10-9-18(24)13-21(20)27(22)14-16-7-8-16;2*1-2-10-26(22(28)16-4-3-5-17(23)11-16)14-21-25-19-9-8-18(24)12-20(19)27(21)13-15-6-7-15;2*1-2-11-26(22(28)17-5-3-4-6-18(17)24)14-21-25-19-10-9-16(23)12-20(19)27(21)13-15-7-8-15/h5,8-10,12-13,18H,4,6-7,11,14-15H2,1-3H3;4,7-9,11-12,16H,3,5-6,10,13-14H2,1-2H3;4-6,9-10,12-13,16H,3,7-8,11,14-15H2,1-2H3;3-5,8-9,11-12,15H,2,6-7,10,13-14H2,1H3;2-5,8-9,11-12,15H,1,6-7,10,13-14H2;2*3-6,9-10,12,15H,2,7-8,11,13-14H2,1H3 |
| InChIKey | BBVZNYRLLSGBEA-UHFFFAOYSA-N |
| XLogP | 39.01 |
| TPSA | 276.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 199 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2882.75 |
| LogP ≤ 5 | 39.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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