N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

C139H180F6N18O12 — CID 159192337

About N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 159192337) has the molecular formula C139H180F6N18O12 and a molecular weight of 2409.07 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
• PubChem CID: 159192337
• Molecular Formula: C139H180F6N18O12
• Molecular Weight: 2409.07 g/mol
• Exact Mass: 2407.39
• IUPAC Name: N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
• SMILES: Cc1cnc(C(=O)Nc2ccc(C3(O)CC(C)(C)N(CC(F)(F)F)C(C)(C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CC4(C)CCC(C)(C3)O4)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CC4CCC(C3)O4)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCN(CC(F)(F)F)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]C1(c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)C[C@]2(C)CC[C@](C)(C1)O2
• InChI: InChI=1S/C30H41F3N4O2.C29H36N4O2.C28H37N3O3.C26H33F3N4O2.C26H33N3O3/c1-19-15-34-24(35-19)25(38)36-23-9-8-21(14-22(23)20-10-12-26(2,3)13-11-20)29(39)16-27(4,5)37(18-30(31,32)33)28(6,7)17-29;1-19-16-31-24(32-19)25(34)33-23-8-7-21(15-22(23)20-9-11-26(2,3)12-10-20)29(30-6)17-27(4)13-14-28(5,18-29)35-27;1-18-15-29-23(30-18)24(32)31-22-7-6-20(14-21(22)19-8-10-25(2,3)11-9-19)28(33)16-26(4)12-13-27(5,17-28)34-26;1-17-15-30-22(31-17)23(34)32-21-5-4-19(14-20(21)18-6-8-24(2,3)9-7-18)25(35)10-12-33(13-11-25)16-26(27,28)29;1-16-15-27-23(28-16)24(30)29-22-7-4-18(26(31)13-19-5-6-20(14-26)32-19)12-21(22)17-8-10-25(2,3)11-9-17/h8-10,14-15,39H,11-13,16-18H2,1-7H3,(H,34,35)(H,36,38);7-9,15-16H,10-14,17-18H2,1-5H3,(H,31,32)(H,33,34);6-8,14-15,33H,9-13,16-17H2,1-5H3,(H,29,30)(H,31,32);4-6,14-15,35H,7-13,16H2,1-3H3,(H,30,31)(H,32,34);4,7-8,12,15,19-20,31H,5-6,9-11,13-14H2,1-3H3,(H,27,28)(H,29,30)/t;27-,28+,29?
• InChIKey: KOFZGEMQJONRQE-UFDYTYITSA-N
• XLogP: 30.14
• TPSA: 408.35 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2409.07
LogP ≤ 5	30.14
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 159192337) is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(C3(O)CC(C)(C)N(CC(F)(F)F)C(C)(C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CC4(C)CCC(C)(C3)O4)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CC4CCC(C3)O4)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCN(CC(F)(F)F)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]C1(c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)C[C@]2(C)CC[C@](C)(C1)O2.

What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The InChIKey is KOFZGEMQJONRQE-UFDYTYITSA-N. The full InChI is InChI=1S/C30H41F3N4O2.C29H36N4O2.C28H37N3O3.C26H33F3N4O2.C26H33N3O3/c1-19-15-34-24(35-19)25(38)36-23-9-8-21(14-22(23)20-10-12-26(2,3)13-11-20)29(39)16-27(4,5)37(18-30(31,32)33)28(6,7)17-29;1-19-16-31-24(32-19)25(34)33-23-8-7-21(15-22(23)20-9-11-26(2,3)12-10-20)29(30-6)17-27(4)13-14-28(5,18-29)35-27;1-18-15-29-23(30-18)24(32)31-22-7-6-20(14-21(22)19-8-10-25(2,3)11-9-19)28(33)16-26(4)12-13-27(5,17-28)34-26;1-17-15-30-22(31-17)23(34)32-21-5-4-19(14-20(21)18-6-8-24(2,3)9-7-18)25(35)10-12-33(13-11-25)16-26(27,28)29;1-16-15-27-23(28-16)24(30)29-22-7-4-18(26(31)13-19-5-6-20(14-26)32-19)12-21(22)17-8-10-25(2,3)11-9-17/h8-10,14-15,39H,11-13,16-18H2,1-7H3,(H,34,35)(H,36,38);7-9,15-16H,10-14,17-18H2,1-5H3,(H,31,32)(H,33,34);6-8,14-15,33H,9-13,16-17H2,1-5H3,(H,29,30)(H,31,32);4-6,14-15,35H,7-13,16H2,1-3H3,(H,30,31)(H,32,34);4,7-8,12,15,19-20,31H,5-6,9-11,13-14H2,1-3H3,(H,27,28)(H,29,30)/t;27-,28+,29?;;;.

What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 2409.07 g/mol, XLogP of 30.14, 22 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 159192337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).