1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-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-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide

C109H126N12O14 — CID 176528924

About 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-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-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide

1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-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-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide (PubChem CID 176528924) has the molecular formula C109H126N12O14 and a molecular weight of 1828.28 g/mol. Its IUPAC name is 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-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-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-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-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide
• PubChem CID: 176528924
• Molecular Formula: C109H126N12O14
• Molecular Weight: 1828.28 g/mol
• Exact Mass: 1826.95
• IUPAC Name: 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-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-(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.CCc1ccc(CC(=O)c2ncc(C(C)=O)[nH]2)c(C2=CCCCC2)c1.CCc1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCCCC2)c1.Cc1cnc(C(=O)Cc2ccc(C(CO)CO)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CCC(N)=O)cc2C2=CCC(C)(C)CC2)[nH]1.O=C=O.O=C=O
• InChI: InChI=1S/C23H29N3O2.C22H23N3O2.C21H26N2O3.C21H24N2O2.C20H24N2O.2CO2/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;1-14-11-22-21(23-14)20(26)10-17-8-7-16(18(12-24)13-25)9-19(17)15-5-3-2-4-6-15;1-3-15-9-10-17(18(11-15)16-7-5-4-6-8-16)12-20(25)21-22-13-19(23-21)14(2)24;1-3-15-9-10-17(12-19(23)20-21-13-14(2)22-20)18(11-15)16-7-5-4-6-8-16;2*2-1-3/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);5,7-9,11,18,24-25H,2-4,6,10,12-13H2,1H3,(H,22,23);7,9-11,13H,3-6,8,12H2,1-2H3,(H,22,23);7,9-11,13H,3-6,8,12H2,1-2H3,(H,21,22)
• InChIKey: XQCHBBQJRMITBS-UHFFFAOYSA-N
• XLogP: 18.57
• TPSA: 440.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 32
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1828.28
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-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-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide (CID 176528924) is 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-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-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide.

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

The canonical SMILES for 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-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-(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.CCc1ccc(CC(=O)c2ncc(C(C)=O)[nH]2)c(C2=CCCCC2)c1.CCc1ccc(CC(=O)c2ncc(C)[nH]2)c(C2=CCCCC2)c1.Cc1cnc(C(=O)Cc2ccc(C(CO)CO)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Cc2ccc(CCC(N)=O)cc2C2=CCC(C)(C)CC2)[nH]1.O=C=O.O=C=O.

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

The InChIKey is XQCHBBQJRMITBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.C22H23N3O2.C21H26N2O3.C21H24N2O2.C20H24N2O.2CO2/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;1-14-11-22-21(23-14)20(26)10-17-8-7-16(18(12-24)13-25)9-19(17)15-5-3-2-4-6-15;1-3-15-9-10-17(18(11-15)16-7-5-4-6-8-16)12-20(25)21-22-13-19(23-21)14(2)24;1-3-15-9-10-17(12-19(23)20-21-13-14(2)22-20)18(11-15)16-7-5-4-6-8-16;2*2-1-3/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);5,7-9,11,18,24-25H,2-4,6,10,12-13H2,1H3,(H,22,23);7,9-11,13H,3-6,8,12H2,1-2H3,(H,22,23);7,9-11,13H,3-6,8,12H2,1-2H3,(H,21,22);;.

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

1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-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-(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 18.57, 32 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-acetyl-1H-imidazol-2-yl)-2-[2-(cyclohexen-1-yl)-4-ethylphenyl]ethanone;bis(carbon dioxide);2-[2-(cyclohexen-1-yl)-4-(1,3-dihydroxypropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-ethylphenyl]-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-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide is sourced from PubChem (CID 176528924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).