N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate

C137H197N23O11 — CID 157145051

About N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate

N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate (PubChem CID 157145051) has the molecular formula C137H197N23O11 and a molecular weight of 2342.23 g/mol. Its IUPAC name is N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate.

Molecular Properties

• Compound Name: N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate
• PubChem CID: 157145051
• Molecular Formula: C137H197N23O11
• Molecular Weight: 2342.23 g/mol
• Exact Mass: 2340.56
• IUPAC Name: N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate
• SMILES: CC(=O)NCCNC(C)(C)c1ccc(NC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.CCOC(=O)CN1CCN(C(C)(C)c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.COCCN1CCN(C(C)(C)c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCO)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)OCCN3CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C30H43N5O3.C29H43N5O2.C28H40N4O2.C26H37N5O2.C24H34N4O2/c1-7-38-26(36)20-34-14-16-35(17-15-34)30(5,6)23-8-9-25(33-28(37)27-31-19-21(2)32-27)24(18-23)22-10-12-29(3,4)13-11-22;1-21-20-30-26(31-21)27(35)32-25-8-7-23(19-24(25)22-9-11-28(2,3)12-10-22)29(4,5)34-15-13-33(14-16-34)17-18-36-6;1-20-19-29-25(30-20)26(33)31-24-9-8-22(18-23(24)21-10-12-27(2,3)13-11-21)28(4,5)34-17-16-32-14-6-7-15-32;1-17-16-28-23(30-17)24(33)31-22-8-7-20(26(5,6)29-14-13-27-18(2)32)15-21(22)19-9-11-25(3,4)12-10-19;1-16-15-25-21(27-16)22(30)28-20-7-6-18(24(4,5)26-12-13-29)14-19(20)17-8-10-23(2,3)11-9-17/h8-10,18-19H,7,11-17,20H2,1-6H3,(H,31,32)(H,33,37);7-9,19-20H,10-18H2,1-6H3,(H,30,31)(H,32,35);8-10,18-19H,6-7,11-17H2,1-5H3,(H,29,30)(H,31,33);7-9,15-16,29H,10-14H2,1-6H3,(H,27,32)(H,28,30)(H,31,33);6-8,14-15,26,29H,9-13H2,1-5H3,(H,25,27)(H,28,30)
• InChIKey: AKPLVPUILVACDI-UHFFFAOYSA-N
• XLogP: 24.86
• TPSA: 423.25 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 23
• Rotatable Bonds: 39
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2342.23
LogP ≤ 5	24.86
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate?

The IUPAC name of N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate (CID 157145051) is N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate.

What is the SMILES notation for N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate?

The canonical SMILES for N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate is CC(=O)NCCNC(C)(C)c1ccc(NC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.CCOC(=O)CN1CCN(C(C)(C)c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.COCCN1CCN(C(C)(C)c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCO)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)OCCN3CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate?

The InChIKey is AKPLVPUILVACDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O3.C29H43N5O2.C28H40N4O2.C26H37N5O2.C24H34N4O2/c1-7-38-26(36)20-34-14-16-35(17-15-34)30(5,6)23-8-9-25(33-28(37)27-31-19-21(2)32-27)24(18-23)22-10-12-29(3,4)13-11-22;1-21-20-30-26(31-21)27(35)32-25-8-7-23(19-24(25)22-9-11-28(2,3)12-10-22)29(4,5)34-15-13-33(14-16-34)17-18-36-6;1-20-19-29-25(30-20)26(33)31-24-9-8-22(18-23(24)21-10-12-27(2,3)13-11-21)28(4,5)34-17-16-32-14-6-7-15-32;1-17-16-28-23(30-17)24(33)31-22-8-7-20(26(5,6)29-14-13-27-18(2)32)15-21(22)19-9-11-25(3,4)12-10-19;1-16-15-25-21(27-16)22(30)28-20-7-6-18(24(4,5)26-12-13-29)14-19(20)17-8-10-23(2,3)11-9-17/h8-10,18-19H,7,11-17,20H2,1-6H3,(H,31,32)(H,33,37);7-9,19-20H,10-18H2,1-6H3,(H,30,31)(H,32,35);8-10,18-19H,6-7,11-17H2,1-5H3,(H,29,30)(H,31,33);7-9,15-16,29H,10-14H2,1-6H3,(H,27,32)(H,28,30)(H,31,33);6-8,14-15,26,29H,9-13H2,1-5H3,(H,25,27)(H,28,30).

What are the key properties of N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate?

N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate has a molecular weight of 2342.23 g/mol, XLogP of 24.86, 39 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-methoxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;ethyl 2-[4-[2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propan-2-yl]piperazin-1-yl]acetate is sourced from PubChem (CID 157145051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).