3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide

C109H126N12O14 — CID 161098393

About 3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide

3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide (PubChem CID 161098393) has the molecular formula C109H126N12O14 and a molecular weight of 1828.28 g/mol. Its IUPAC name is 3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide
• PubChem CID: 161098393
• Molecular Formula: C109H126N12O14
• Molecular Weight: 1828.28 g/mol
• Exact Mass: 1826.95
• IUPAC Name: 3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide
• SMILES: C#Cc1cnc(C(=O)Cc2ccc(CCC(N)=O)cc2C2=CCCCC2)[nH]1.CC(=O)c1cnc(C(=O)Cc2ccc(CCC(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(CO)CO)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CCC(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CCC(N)=O)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C23H29N3O2.C22H23N3O2.C22H24N2O4.C21H24N2O3.C21H26N2O3/c1-15-14-25-22(26-15)20(27)13-18-6-4-16(5-7-21(24)28)12-19(18)17-8-10-23(2,3)11-9-17;1-2-18-14-24-22(25-18)20(26)13-17-10-8-15(9-11-21(23)27)12-19(17)16-6-4-3-5-7-16;1-14(25)19-13-23-22(24-19)20(26)12-17-9-7-15(8-10-21(27)28)11-18(17)16-5-3-2-4-6-16;1-14-13-22-21(23-14)19(24)12-17-9-7-15(8-10-20(25)26)11-18(17)16-5-3-2-4-6-16;1-14-11-22-21(23-14)20(26)10-17-8-7-16(18(12-24)13-25)9-19(17)15-5-3-2-4-6-15/h4,6,8,12,14H,5,7,9-11,13H2,1-3H3,(H2,24,28)(H,25,26);1,6,8,10,12,14H,3-5,7,9,11,13H2,(H2,23,27)(H,24,25);5,7,9,11,13H,2-4,6,8,10,12H2,1H3,(H,23,24)(H,27,28);5,7,9,11,13H,2-4,6,8,10,12H2,1H3,(H,22,23)(H,25,26);5,7-9,11,18,24-25H,2-4,6,10,12-13H2,1H3,(H,22,23)
• InChIKey: UICIRPKVWVLNSV-UHFFFAOYSA-N
• XLogP: 18.65
• TPSA: 447.06 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 36
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1828.28
LogP ≤ 5	18.65
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide?

The IUPAC name of 3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide (CID 161098393) is 3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide.

What is the SMILES notation for 3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide?

The canonical SMILES for 3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide is C#Cc1cnc(C(=O)Cc2ccc(CCC(N)=O)cc2C2=CCCCC2)[nH]1.CC(=O)c1cnc(C(=O)Cc2ccc(CCC(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(C(CO)CO)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CCC(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CCC(N)=O)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of 3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide?

The InChIKey is UICIRPKVWVLNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.C22H23N3O2.C22H24N2O4.C21H24N2O3.C21H26N2O3/c1-15-14-25-22(26-15)20(27)13-18-6-4-16(5-7-21(24)28)12-19(18)17-8-10-23(2,3)11-9-17;1-2-18-14-24-22(25-18)20(26)13-17-10-8-15(9-11-21(23)27)12-19(17)16-6-4-3-5-7-16;1-14(25)19-13-23-22(24-19)20(26)12-17-9-7-15(8-10-21(27)28)11-18(17)16-5-3-2-4-6-16;1-14-13-22-21(23-14)19(24)12-17-9-7-15(8-10-20(25)26)11-18(17)16-5-3-2-4-6-16;1-14-11-22-21(23-14)20(26)10-17-8-7-16(18(12-24)13-25)9-19(17)15-5-3-2-4-6-15/h4,6,8,12,14H,5,7,9-11,13H2,1-3H3,(H2,24,28)(H,25,26);1,6,8,10,12,14H,3-5,7,9,11,13H2,(H2,23,27)(H,24,25);5,7,9,11,13H,2-4,6,8,10,12H2,1H3,(H,23,24)(H,27,28);5,7,9,11,13H,2-4,6,8,10,12H2,1H3,(H,22,23)(H,25,26);5,7-9,11,18,24-25H,2-4,6,10,12-13H2,1H3,(H,22,23).

What are the key properties of 3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide?

3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide has a molecular weight of 1828.28 g/mol, XLogP of 18.65, 36 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(5-acetyl-1H-imidazol-2-yl)-2-oxoethyl]-3-(cyclohexen-1-yl)phenyl]propanoic acid;2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanoic acid;3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide is sourced from PubChem (CID 161098393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).