C115H170N24O17 — CID 161386749
1-(2-ethoxyethyl)imidazole;2-imidazol-1-ylcyclohexan-1-ol;2-imidazol-1-ylcyclopentan-1-ol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole;1-[2-(2-methoxyethoxy)ethyl]imidazole;1-(2-methoxyethyl)imidazole;1-[2-(methoxymethoxy)ethyl]imidazole;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole;1-(2-phenylimidazol-1-yl)butan-2-ol;4-(2-phenylimidazol-1-yl)butan-1-ol;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethanol;1-(2-phenylimidazol-1-yl)propan-2-ol (PubChem CID 161386749) has the molecular formula C115H170N24O17 and a molecular weight of 2160.78 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)imidazole;2-imidazol-1-ylcyclohexan-1-ol;2-imidazol-1-ylcyclopentan-1-ol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole;1-[2-(2-methoxyethoxy)ethyl]imidazole;1-(2-methoxyethyl)imidazole;1-[2-(methoxymethoxy)ethyl]imidazole;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole;1-(2-phenylimidazol-1-yl)butan-2-ol;4-(2-phenylimidazol-1-yl)butan-1-ol;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethanol;1-(2-phenylimidazol-1-yl)propan-2-ol.
| Compound Name | 1-(2-ethoxyethyl)imidazole;2-imidazol-1-ylcyclohexan-1-ol;2-imidazol-1-ylcyclopentan-1-ol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole;1-[2-(2-methoxyethoxy)ethyl]imidazole;1-(2-methoxyethyl)imidazole;1-[2-(methoxymethoxy)ethyl]imidazole;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole;1-(2-phenylimidazol-1-yl)butan-2-ol;4-(2-phenylimidazol-1-yl)butan-1-ol;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethanol;1-(2-phenylimidazol-1-yl)propan-2-ol |
|---|---|
| PubChem CID | 161386749 |
| Molecular Formula | C115H170N24O17 |
| Molecular Weight | 2160.78 g/mol |
| Exact Mass | 2159.32 |
| IUPAC Name | 1-(2-ethoxyethyl)imidazole;2-imidazol-1-ylcyclohexan-1-ol;2-imidazol-1-ylcyclopentan-1-ol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazole;1-[2-(2-methoxyethoxy)ethyl]imidazole;1-(2-methoxyethyl)imidazole;1-[2-(methoxymethoxy)ethyl]imidazole;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazole;1-(2-phenylimidazol-1-yl)butan-2-ol;4-(2-phenylimidazol-1-yl)butan-1-ol;2-[2-(2-phenylimidazol-1-yl)ethoxy]ethanol;1-(2-phenylimidazol-1-yl)propan-2-ol |
| SMILES | CC(C)(C)OCCn1ccnc1.CC(O)Cn1ccnc1-c1ccccc1.CCC(O)Cn1ccnc1-c1ccccc1.CCOCCn1ccnc1.COCCOCCOCCn1ccnc1.COCCOCCn1ccnc1.COCCn1ccnc1.COCOCCn1ccnc1.OC1CCCC1n1ccnc1.OC1CCCCC1n1ccnc1.OCCCCn1ccnc1-c1ccccc1.OCCOCCn1ccnc1-c1ccccc1 |
| InChI | InChI=1S/C13H16N2O2.2C13H16N2O.C12H14N2O.C10H18N2O3.C9H14N2O.C9H16N2O.C8H14N2O2.C8H12N2O.C7H12N2O2.C7H12N2O.C6H10N2O/c16-9-11-17-10-8-15-7-6-14-13(15)12-4-2-1-3-5-12;1-2-12(16)10-15-9-8-14-13(15)11-6-4-3-5-7-11;16-11-5-4-9-15-10-8-14-13(15)12-6-2-1-3-7-12;1-10(15)9-14-8-7-13-12(14)11-5-3-2-4-6-11;1-13-6-7-15-9-8-14-5-4-12-3-2-11-10-12;12-9-4-2-1-3-8(9)11-6-5-10-7-11;1-9(2,3)12-7-6-11-5-4-10-8-11;1-11-6-7-12-5-4-10-3-2-9-8-10;11-8-3-1-2-7(8)10-5-4-9-6-10;1-10-7-11-5-4-9-3-2-8-6-9;1-2-10-6-5-9-4-3-8-7-9;1-9-5-4-8-3-2-7-6-8/h1-7,16H,8-11H2;3-9,12,16H,2,10H2,1H3;1-3,6-8,10,16H,4-5,9,11H2;2-8,10,15H,9H2,1H3;2-3,10H,4-9H2,1H3;5-9,12H,1-4H2;4-5,8H,6-7H2,1-3H3;2-3,8H,4-7H2,1H3;4-8,11H,1-3H2;2-3,6H,4-5,7H2,1H3;3-4,7H,2,5-6H2,1H3;2-3,6H,4-5H2,1H3 |
| InChIKey | VSLJFIZKRLOIDH-UHFFFAOYSA-N |
| XLogP | 15.22 |
| TPSA | 436.75 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2160.78 |
| LogP ≤ 5 | 15.22 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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