N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone

C141H158N20O14S — CID 161418889

About N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone

N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone (PubChem CID 161418889) has the molecular formula C141H158N20O14S and a molecular weight of 2389.01 g/mol. Its IUPAC name is N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone.

Molecular Properties

• Compound Name: N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
• PubChem CID: 161418889
• Molecular Formula: C141H158N20O14S
• Molecular Weight: 2389.01 g/mol
• Exact Mass: 2387.20
• IUPAC Name: N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
• SMILES: C#Cc1cnc(C(=O)Cc2ccc(C(=C)C)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(=O)C(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(=O)NCCO)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(C)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NS(C)(=O)=O)cc2C2=CCCCC2)[nH]1
• InChI: InChI=1S/C25H30N4O3.C24H26N4O3.C24H27N3O2.C23H26N4O2.C23H27N3O3S.C22H22N2O/c1-4-20-16-27-23(28-20)22(31)14-18-10-11-19(15-21(18)17-8-6-5-7-9-17)25(2,3)29-24(32)26-12-13-30;1-4-18-14-26-22(27-18)20(29)12-16-10-11-17(24(2,3)28-23(31)21(25)30)13-19(16)15-8-6-5-7-9-15;1-5-20-15-25-23(26-20)22(29)13-18-11-12-19(24(3,4)27-16(2)28)14-21(18)17-9-7-6-8-10-17;1-4-18-14-25-21(26-18)20(28)12-16-10-11-17(23(2,3)27-22(24)29)13-19(16)15-8-6-5-7-9-15;1-5-19-15-24-22(25-19)21(27)13-17-11-12-18(23(2,3)26-30(4,28)29)14-20(17)16-9-7-6-8-10-16;1-4-19-14-23-22(24-19)21(25)13-18-11-10-17(15(2)3)12-20(18)16-8-6-5-7-9-16/h1,8,10-11,15-16,30H,5-7,9,12-14H2,2-3H3,(H,27,28)(H2,26,29,32);1,8,10-11,13-14H,5-7,9,12H2,2-3H3,(H2,25,30)(H,26,27)(H,28,31);1,9,11-12,14-15H,6-8,10,13H2,2-4H3,(H,25,26)(H,27,28);1,8,10-11,13-14H,5-7,9,12H2,2-3H3,(H,25,26)(H3,24,27,29);1,9,11-12,14-15,26H,6-8,10,13H2,2-4H3,(H,24,25);1,8,10-12,14H,2,5-7,9,13H2,3H3,(H,23,24)
• InChIKey: VWLNDLVGMJYFMV-UHFFFAOYSA-N
• XLogP: 22.10
• TPSA: 538.44 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 20
• Rotatable Bonds: 38
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2389.01
LogP ≤ 5	22.10
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

The IUPAC name of N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone (CID 161418889) is N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone.

What is the SMILES notation for N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

The canonical SMILES for N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone is C#Cc1cnc(C(=O)Cc2ccc(C(=C)C)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(=O)C(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(=O)NCCO)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(C)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NS(C)(=O)=O)cc2C2=CCCCC2)[nH]1.

What is the InChIKey of N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

The InChIKey is VWLNDLVGMJYFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3.C24H26N4O3.C24H27N3O2.C23H26N4O2.C23H27N3O3S.C22H22N2O/c1-4-20-16-27-23(28-20)22(31)14-18-10-11-19(15-21(18)17-8-6-5-7-9-17)25(2,3)29-24(32)26-12-13-30;1-4-18-14-26-22(27-18)20(29)12-16-10-11-17(24(2,3)28-23(31)21(25)30)13-19(16)15-8-6-5-7-9-15;1-5-20-15-25-23(26-20)22(29)13-18-11-12-19(24(3,4)27-16(2)28)14-21(18)17-9-7-6-8-10-17;1-4-18-14-25-21(26-18)20(28)12-16-10-11-17(23(2,3)27-22(24)29)13-19(16)15-8-6-5-7-9-15;1-5-19-15-24-22(25-19)21(27)13-17-11-12-18(23(2,3)26-30(4,28)29)14-20(17)16-9-7-6-8-10-16;1-4-19-14-23-22(24-19)21(25)13-18-11-10-17(15(2)3)12-20(18)16-8-6-5-7-9-16/h1,8,10-11,15-16,30H,5-7,9,12-14H2,2-3H3,(H,27,28)(H2,26,29,32);1,8,10-11,13-14H,5-7,9,12H2,2-3H3,(H2,25,30)(H,26,27)(H,28,31);1,9,11-12,14-15H,6-8,10,13H2,2-4H3,(H,25,26)(H,27,28);1,8,10-11,13-14H,5-7,9,12H2,2-3H3,(H,25,26)(H3,24,27,29);1,9,11-12,14-15,26H,6-8,10,13H2,2-4H3,(H,24,25);1,8,10-12,14H,2,5-7,9,13H2,3H3,(H,23,24).

What are the key properties of N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?

N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone has a molecular weight of 2389.01 g/mol, XLogP of 22.10, 38 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 161418889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).