C121H124Cl5F5N10O10 — CID 157420797
1-[3-but-3-enyl-6-[(4-chloro-2-methylphenyl)methyl]-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-pent-4-enylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-1-prop-2-enylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-prop-2-enylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone (PubChem CID 157420797) has the molecular formula C121H124Cl5F5N10O10 and a molecular weight of 2150.64 g/mol. Its IUPAC name is 1-[3-but-3-enyl-6-[(4-chloro-2-methylphenyl)methyl]-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-pent-4-enylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-1-prop-2-enylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-prop-2-enylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone.
| Compound Name | 1-[3-but-3-enyl-6-[(4-chloro-2-methylphenyl)methyl]-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-pent-4-enylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-1-prop-2-enylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-prop-2-enylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone |
|---|---|
| PubChem CID | 157420797 |
| Molecular Formula | C121H124Cl5F5N10O10 |
| Molecular Weight | 2150.64 g/mol |
| Exact Mass | 2146.79 |
| IUPAC Name | 1-[3-but-3-enyl-6-[(4-chloro-2-methylphenyl)methyl]-7-fluorobenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-pent-4-enylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-1-prop-2-enylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone;1-[6-[(4-chloro-2-methylphenyl)methyl]-7-fluoro-3-prop-2-enylbenzimidazol-5-yl]-2-(cyclopropylmethoxy)ethanone |
| SMILES | C=CCCCn1cnc2c(F)c(Cc3ccc(Cl)cc3C)c(C(=O)COCC3CC3)cc21.C=CCCn1cnc2c(F)c(Cc3ccc(Cl)cc3C)c(C(=O)COCC3CC3)cc21.C=CCn1cnc2c(F)c(Cc3ccc(Cl)cc3C)c(C(=O)COCC3CC3)cc21.C=CCn1cnc2cc(C(=O)COCC3CC3)c(Cc3ccc(Cl)cc3C)c(F)c21.Cc1cc(Cl)ccc1Cc1c(C(=O)COCC2CC2)cc2c(ncn2C)c1F |
| InChI | InChI=1S/C26H28ClFN2O2.C25H26ClFN2O2.2C24H24ClFN2O2.C22H22ClFN2O2/c1-3-4-5-10-30-16-29-26-23(30)13-21(24(31)15-32-14-18-6-7-18)22(25(26)28)12-19-8-9-20(27)11-17(19)2;1-3-4-9-29-15-28-25-22(29)12-20(23(30)14-31-13-17-5-6-17)21(24(25)27)11-18-7-8-19(26)10-16(18)2;1-3-8-28-14-27-24-21(28)11-19(22(29)13-30-12-16-4-5-16)20(23(24)26)10-17-6-7-18(25)9-15(17)2;1-3-8-28-14-27-21-11-19(22(29)13-30-12-16-4-5-16)20(23(26)24(21)28)10-17-6-7-18(25)9-15(17)2;1-13-7-16(23)6-5-15(13)8-18-17(20(27)11-28-10-14-3-4-14)9-19-22(21(18)24)25-12-26(19)2/h3,8-9,11,13,16,18H,1,4-7,10,12,14-15H2,2H3;3,7-8,10,12,15,17H,1,4-6,9,11,13-14H2,2H3;2*3,6-7,9,11,14,16H,1,4-5,8,10,12-13H2,2H3;5-7,9,12,14H,3-4,8,10-11H2,1-2H3 |
| InChIKey | BPJMFPWABAMYON-UHFFFAOYSA-N |
| XLogP | 28.14 |
| TPSA | 220.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 151 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2150.64 |
| LogP ≤ 5 | 28.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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