3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid

C130H151F3N20O21 — CID 157121531

About 3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid

3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 157121531) has the molecular formula C130H151F3N20O21 and a molecular weight of 2386.75 g/mol. Its IUPAC name is 3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 157121531
• Molecular Formula: C130H151F3N20O21
• Molecular Weight: 2386.75 g/mol
• Exact Mass: 2385.13
• IUPAC Name: 3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid
• SMILES: C#Cc1cnc(C(=O)Nc2ccc(CCC(N)=O)cc2C2=CCCCC2)[nH]1.CC(=O)OCC(COC(C)=O)c1ccc(NC(=O)c2ncc(C)[nH]2)c(C2=CCCCC2)c1.CC(=O)c1cnc(C(=O)Nc2ccc(CCC(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(CO)CO)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CCC(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CCC(N)=O)cc2C2=CCC(C)(C)CC2)[nH]1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H29N3O5.C22H28N4O2.C21H22N4O2.C21H23N3O4.C20H23N3O3.C20H25N3O3.C2HF3O2/c1-15-12-25-23(26-15)24(30)27-22-10-9-19(11-21(22)18-7-5-4-6-8-18)20(13-31-16(2)28)14-32-17(3)29;1-14-13-24-20(25-14)21(28)26-18-6-4-15(5-7-19(23)27)12-17(18)16-8-10-22(2,3)11-9-16;1-2-16-13-23-20(24-16)21(27)25-18-10-8-14(9-11-19(22)26)12-17(18)15-6-4-3-5-7-15;1-13(25)18-12-22-20(23-18)21(28)24-17-9-7-14(8-10-19(26)27)11-16(17)15-5-3-2-4-6-15;1-13-12-21-19(22-13)20(26)23-17-9-7-14(8-10-18(24)25)11-16(17)15-5-3-2-4-6-15;1-13-10-21-19(22-13)20(26)23-18-8-7-15(16(11-24)12-25)9-17(18)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h7,9-12,20H,4-6,8,13-14H2,1-3H3,(H,25,26)(H,27,30);4,6,8,12-13H,5,7,9-11H2,1-3H3,(H2,23,27)(H,24,25)(H,26,28);1,6,8,10,12-13H,3-5,7,9,11H2,(H2,22,26)(H,23,24)(H,25,27);5,7,9,11-12H,2-4,6,8,10H2,1H3,(H,22,23)(H,24,28)(H,26,27);5,7,9,11-12H,2-4,6,8,10H2,1H3,(H,21,22)(H,23,26)(H,24,25);5,7-10,16,24-25H,2-4,6,11-12H2,1H3,(H,21,22)(H,23,26);(H,6,7)
• InChIKey: LYOMWJHRCKYVFO-UHFFFAOYSA-N
• XLogP: 22.55
• TPSA: 654.89 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 24
• Rotatable Bonds: 39
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2386.75
LogP ≤ 5	22.55
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid (CID 157121531) is 3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid is C#Cc1cnc(C(=O)Nc2ccc(CCC(N)=O)cc2C2=CCCCC2)[nH]1.CC(=O)OCC(COC(C)=O)c1ccc(NC(=O)c2ncc(C)[nH]2)c(C2=CCCCC2)c1.CC(=O)c1cnc(C(=O)Nc2ccc(CCC(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(CO)CO)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CCC(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CCC(N)=O)cc2C2=CCC(C)(C)CC2)[nH]1.O=C(O)C(F)(F)F.

What is the InChIKey of 3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid?

The InChIKey is LYOMWJHRCKYVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5.C22H28N4O2.C21H22N4O2.C21H23N3O4.C20H23N3O3.C20H25N3O3.C2HF3O2/c1-15-12-25-23(26-15)24(30)27-22-10-9-19(11-21(22)18-7-5-4-6-8-18)20(13-31-16(2)28)14-32-17(3)29;1-14-13-24-20(25-14)21(28)26-18-6-4-15(5-7-19(23)27)12-17(18)16-8-10-22(2,3)11-9-16;1-2-16-13-23-20(24-16)21(27)25-18-10-8-14(9-11-19(22)26)12-17(18)15-6-4-3-5-7-15;1-13(25)18-12-22-20(23-18)21(28)24-17-9-7-14(8-10-19(26)27)11-16(17)15-5-3-2-4-6-15;1-13-12-21-19(22-13)20(26)23-17-9-7-14(8-10-18(24)25)11-16(17)15-5-3-2-4-6-15;1-13-10-21-19(22-13)20(26)23-18-8-7-15(16(11-24)12-25)9-17(18)14-5-3-2-4-6-14;3-2(4,5)1(6)7/h7,9-12,20H,4-6,8,13-14H2,1-3H3,(H,25,26)(H,27,30);4,6,8,12-13H,5,7,9-11H2,1-3H3,(H2,23,27)(H,24,25)(H,26,28);1,6,8,10,12-13H,3-5,7,9,11H2,(H2,22,26)(H,23,24)(H,25,27);5,7,9,11-12H,2-4,6,8,10H2,1H3,(H,22,23)(H,24,28)(H,26,27);5,7,9,11-12H,2-4,6,8,10H2,1H3,(H,21,22)(H,23,26)(H,24,25);5,7-10,16,24-25H,2-4,6,11-12H2,1H3,(H,21,22)(H,23,26);(H,6,7).

What are the key properties of 3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid?

3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 2386.75 g/mol, XLogP of 22.55, 39 rotatable bonds, 19 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;[3-acetyloxy-2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propyl] acetate;N-[4-(3-amino-3-oxopropyl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157121531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).