C127H144N18O20S — CID 160567914
1-[[3-(methoxymethoxymethyl)phenyl]methyl]-3-(2-methoxyphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[3-[3-(2-methoxyphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]-2-methylpropane-1-sulfonamide;1-(2-methoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]imidazol-2-one;1-(2-methoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)-3-[[3-(2-pyridin-3-yloxyethoxy)phenyl]methyl]imidazol-2-one (PubChem CID 160567914) has the molecular formula C127H144N18O20S and a molecular weight of 2274.72 g/mol. Its IUPAC name is 1-[[3-(methoxymethoxymethyl)phenyl]methyl]-3-(2-methoxyphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[3-[3-(2-methoxyphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]-2-methylpropane-1-sulfonamide;1-(2-methoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]imidazol-2-one;1-(2-methoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)-3-[[3-(2-pyridin-3-yloxyethoxy)phenyl]methyl]imidazol-2-one.
| Compound Name | 1-[[3-(methoxymethoxymethyl)phenyl]methyl]-3-(2-methoxyphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[3-[3-(2-methoxyphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]-2-methylpropane-1-sulfonamide;1-(2-methoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]imidazol-2-one;1-(2-methoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)-3-[[3-(2-pyridin-3-yloxyethoxy)phenyl]methyl]imidazol-2-one |
|---|---|
| PubChem CID | 160567914 |
| Molecular Formula | C127H144N18O20S |
| Molecular Weight | 2274.72 g/mol |
| Exact Mass | 2273.05 |
| IUPAC Name | 1-[[3-(methoxymethoxymethyl)phenyl]methyl]-3-(2-methoxyphenyl)-4-phenyl-5-(piperazine-1-carbonyl)imidazol-2-one;N-[3-[3-(2-methoxyphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]propyl]-2-methylpropane-1-sulfonamide;1-(2-methoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)-3-[[3-(2-propan-2-yloxyethoxy)phenyl]methyl]imidazol-2-one;1-(2-methoxyphenyl)-5-phenyl-4-(piperazine-1-carbonyl)-3-[[3-(2-pyridin-3-yloxyethoxy)phenyl]methyl]imidazol-2-one |
| SMILES | COCOCc1cccc(Cn2c(C(=O)N3CCNCC3)c(-c3ccccc3)n(-c3ccccc3OC)c2=O)c1.COc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNS(=O)(=O)CC(C)C)c1=O.COc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(Cc2cccc(OCCOC(C)C)c2)c1=O.COc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(Cc2cccc(OCCOc3cccnc3)c2)c1=O |
| InChI | InChI=1S/C35H35N5O5.C33H38N4O5.C31H34N4O5.C28H37N5O5S/c1-43-31-15-6-5-14-30(31)40-32(27-10-3-2-4-11-27)33(34(41)38-19-17-36-18-20-38)39(35(40)42)25-26-9-7-12-28(23-26)44-21-22-45-29-13-8-16-37-24-29;1-24(2)41-20-21-42-27-13-9-10-25(22-27)23-36-31(32(38)35-18-16-34-17-19-35)30(26-11-5-4-6-12-26)37(33(36)39)28-14-7-8-15-29(28)40-3;1-38-22-40-21-24-10-8-9-23(19-24)20-34-29(30(36)33-17-15-32-16-18-33)28(25-11-4-3-5-12-25)35(31(34)37)26-13-6-7-14-27(26)39-2;1-21(2)20-39(36,37)30-14-9-17-32-26(27(34)31-18-15-29-16-19-31)25(22-10-5-4-6-11-22)33(28(32)35)23-12-7-8-13-24(23)38-3/h2-16,23-24,36H,17-22,25H2,1H3;4-15,22,24,34H,16-21,23H2,1-3H3;3-14,19,32H,15-18,20-22H2,1-2H3;4-8,10-13,21,29-30H,9,14-20H2,1-3H3 |
| InChIKey | RADYXLQRVDTZKI-UHFFFAOYSA-N |
| XLogP | 14.33 |
| TPSA | 388.44 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 166 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2274.72 |
| LogP ≤ 5 | 14.33 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 33 |
| 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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