N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone

C149H149F23N20O14 — CID 167598470

About N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone

N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 167598470) has the molecular formula C149H149F23N20O14 and a molecular weight of 2880.91 g/mol. Its IUPAC name is N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone
• PubChem CID: 167598470
• Molecular Formula: C149H149F23N20O14
• Molecular Weight: 2880.91 g/mol
• Exact Mass: 2879.12
• IUPAC Name: N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone
• SMILES: CCC(CNC(=O)c1ccc2nc(C(O)(c3ccc(F)cc3)C(F)(F)F)n(CC)c2c1)C(C)C.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)N3CCC(c4ccccc4)CC3)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)N3C[C@H](C)C[C@H]3COC=O)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)NC(C#N)CC(C)C)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)NCC(C)C)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C)c3)nc21
• InChI: InChI=1S/C29H27F4N3O2.C25H25F4N3O4.C25H29F4N3O2.C24H24F4N4O2.C24H21F3N4O2.C22H23F4N3O2/c1-2-36-25-18-21(26(37)35-16-14-20(15-17-35)19-6-4-3-5-7-19)8-13-24(25)34-27(36)28(38,29(31,32)33)22-9-11-23(30)12-10-22;1-3-31-21-11-16(22(34)32-12-15(2)10-19(32)13-36-14-33)4-9-20(21)30-23(31)24(35,25(27,28)29)17-5-7-18(26)8-6-17;1-5-16(15(3)4)14-30-22(33)17-7-12-20-21(13-17)32(6-2)23(31-20)24(34,25(27,28)29)18-8-10-19(26)11-9-18;1-4-32-20-12-15(21(33)30-18(13-29)11-14(2)3)5-10-19(20)31-22(32)23(34,24(26,27)28)16-6-8-17(25)9-7-16;1-3-31-20-18(12-13-19(29-20)21(32)28-17-11-7-8-15(2)14-17)30-22(31)23(33,24(25,26)27)16-9-5-4-6-10-16;1-4-29-18-11-14(19(30)27-12-13(2)3)5-10-17(18)28-20(29)21(31,22(24,25)26)15-6-8-16(23)9-7-15/h3-13,18,20,38H,2,14-17H2,1H3;4-9,11,14-15,19,35H,3,10,12-13H2,1-2H3;7-13,15-16,34H,5-6,14H2,1-4H3,(H,30,33);5-10,12,14,18,34H,4,11H2,1-3H3,(H,30,33);4-14,33H,3H2,1-2H3,(H,28,32);5-11,13,31H,4,12H2,1-3H3,(H,27,30)/t;15-,19+,24?;;;;/m.1..../s1
• InChIKey: JJYVHTXHIWUKNU-XKACWKJCSA-N
• XLogP: 29.29
• TPSA: 448.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 38
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2880.91
LogP ≤ 5	29.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone?

The IUPAC name of N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone (CID 167598470) is N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone.

What is the SMILES notation for N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone?

The canonical SMILES for N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone is CCC(CNC(=O)c1ccc2nc(C(O)(c3ccc(F)cc3)C(F)(F)F)n(CC)c2c1)C(C)C.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)N3CCC(c4ccccc4)CC3)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)N3C[C@H](C)C[C@H]3COC=O)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)NC(C#N)CC(C)C)cc21.CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)NCC(C)C)cc21.CCn1c(C(O)(c2ccccc2)C(F)(F)F)nc2ccc(C(=O)Nc3cccc(C)c3)nc21.

What is the InChIKey of N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone?

The InChIKey is JJYVHTXHIWUKNU-XKACWKJCSA-N. The full InChI is InChI=1S/C29H27F4N3O2.C25H25F4N3O4.C25H29F4N3O2.C24H24F4N4O2.C24H21F3N4O2.C22H23F4N3O2/c1-2-36-25-18-21(26(37)35-16-14-20(15-17-35)19-6-4-3-5-7-19)8-13-24(25)34-27(36)28(38,29(31,32)33)22-9-11-23(30)12-10-22;1-3-31-21-11-16(22(34)32-12-15(2)10-19(32)13-36-14-33)4-9-20(21)30-23(31)24(35,25(27,28)29)17-5-7-18(26)8-6-17;1-5-16(15(3)4)14-30-22(33)17-7-12-20-21(13-17)32(6-2)23(31-20)24(34,25(27,28)29)18-8-10-19(26)11-9-18;1-4-32-20-12-15(21(33)30-18(13-29)11-14(2)3)5-10-19(20)31-22(32)23(34,24(26,27)28)16-6-8-17(25)9-7-16;1-3-31-20-18(12-13-19(29-20)21(32)28-17-11-7-8-15(2)14-17)30-22(31)23(33,24(25,26)27)16-9-5-4-6-10-16;1-4-29-18-11-14(19(30)27-12-13(2)3)5-10-17(18)28-20(29)21(31,22(24,25)26)15-6-8-16(23)9-7-15/h3-13,18,20,38H,2,14-17H2,1H3;4-9,11,14-15,19,35H,3,10,12-13H2,1-2H3;7-13,15-16,34H,5-6,14H2,1-4H3,(H,30,33);5-10,12,14,18,34H,4,11H2,1-3H3,(H,30,33);4-14,33H,3H2,1-2H3,(H,28,32);5-11,13,31H,4,12H2,1-3H3,(H,27,30)/t;15-,19+,24?;;;;/m.1..../s1.

What are the key properties of N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone?

N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 2880.91 g/mol, XLogP of 29.29, 38 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyano-3-methylbutyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-ethyl-3-methylbutyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)imidazo[4,5-b]pyridine-5-carboxamide;3-ethyl-N-(2-methylpropyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;[(2S,4R)-1-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-4-methylpyrrolidin-2-yl]methyl formate;[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazol-5-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 167598470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).