C152H173N21O7S3 — CID 158144991
N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3,4-dimethyl-N-propylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methyl-N-prop-2-enylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methyl-N-propylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylthiophene-2-carboxamide (PubChem CID 158144991) has the molecular formula C152H173N21O7S3 and a molecular weight of 2502.40 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3,4-dimethyl-N-propylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methyl-N-prop-2-enylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methyl-N-propylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylthiophene-2-carboxamide.
| Compound Name | N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3,4-dimethyl-N-propylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methyl-N-prop-2-enylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methyl-N-propylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylthiophene-2-carboxamide |
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| PubChem CID | 158144991 |
| Molecular Formula | C152H173N21O7S3 |
| Molecular Weight | 2502.40 g/mol |
| Exact Mass | 2500.30 |
| IUPAC Name | N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3,4-dimethyl-N-propylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethyl-3-methylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-ethylthiophene-2-carboxamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methyl-N-prop-2-enylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methyl-N-propylbenzamide;N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-N-propylthiophene-2-carboxamide |
| SMILES | C=CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1ccc(C)s1.C=CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(C)c1.CCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1ccc(C)c(C)c1.CCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(C)c1.CCCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccs1.CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccc(C)c1.CCN(Cc1nc2ccccc2n1CC1CC1)C(=O)c1cccs1 |
| InChI | InChI=1S/C24H29N3O.C23H27N3O.C23H25N3O.C22H25N3O.C21H23N3OS.C20H23N3OS.C19H21N3OS/c1-4-13-26(24(28)20-12-9-17(2)18(3)14-20)16-23-25-21-7-5-6-8-22(21)27(23)15-19-10-11-19;2*1-3-13-25(23(27)19-8-6-7-17(2)14-19)16-22-24-20-9-4-5-10-21(20)26(22)15-18-11-12-18;1-3-24(22(26)18-8-6-7-16(2)13-18)15-21-23-19-9-4-5-10-20(19)25(21)14-17-11-12-17;1-3-12-23(21(25)19-11-8-15(2)26-19)14-20-22-17-6-4-5-7-18(17)24(20)13-16-9-10-16;1-2-11-22(20(24)18-8-5-12-25-18)14-19-21-16-6-3-4-7-17(16)23(19)13-15-9-10-15;1-2-21(19(23)17-8-5-11-24-17)13-18-20-15-6-3-4-7-16(15)22(18)12-14-9-10-14/h5-9,12,14,19H,4,10-11,13,15-16H2,1-3H3;4-10,14,18H,3,11-13,15-16H2,1-2H3;3-10,14,18H,1,11-13,15-16H2,2H3;4-10,13,17H,3,11-12,14-15H2,1-2H3;3-8,11,16H,1,9-10,12-14H2,2H3;3-8,12,15H,2,9-11,13-14H2,1H3;3-8,11,14H,2,9-10,12-13H2,1H3 |
| InChIKey | FUKHACJYFQXXID-UHFFFAOYSA-N |
| XLogP | 32.30 |
| TPSA | 266.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2502.40 |
| LogP ≤ 5 | 32.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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