5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate

C120H154N20O13 — CID 158594470

About 5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate

5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate (PubChem CID 158594470) has the molecular formula C120H154N20O13 and a molecular weight of 2084.68 g/mol. Its IUPAC name is 5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate.

Molecular Properties

• Compound Name: 5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate
• PubChem CID: 158594470
• Molecular Formula: C120H154N20O13
• Molecular Weight: 2084.68 g/mol
• Exact Mass: 2083.20
• IUPAC Name: 5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate
• SMILES: C#Cc1cnc(C(=O)Nc2ccc(CC(=O)NCCCO)cc2C2=CCC(C)(C)CC2)[nH]1.CCOC(=O)Cc1ccc(NC(=O)c2cc(C)c[nH]2)c(C2=CCC(C)(C)CC2)n1.CN(C)CCNC(=O)Cc1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1c[nH]c(C(=O)Nc2ccc(CC(=O)O)nc2C2=CCC(C)(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)OCCN(C)C)cc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C26H38N4O2.C25H32N6O2.C25H30N4O3.C23H29N3O3.C21H25N3O3/c1-18-17-27-23(28-18)24(31)29-22-9-8-20(26(4,5)32-15-14-30(6)7)16-21(22)19-10-12-25(2,3)13-11-19;1-25(2)9-7-18(8-10-25)20-13-17(14-22(32)27-11-12-31(3)4)5-6-21(20)30-24(33)23-28-16-19(15-26)29-23;1-4-19-16-27-23(28-19)24(32)29-21-7-6-17(15-22(31)26-12-5-13-30)14-20(21)18-8-10-25(2,3)11-9-18;1-5-29-20(27)13-17-6-7-18(26-22(28)19-12-15(2)14-24-19)21(25-17)16-8-10-23(3,4)11-9-16;1-13-10-17(22-12-13)20(27)24-16-5-4-15(11-18(25)26)23-19(16)14-6-8-21(2,3)9-7-14/h8-10,16-17H,11-15H2,1-7H3,(H,27,28)(H,29,31);5-7,13,16H,8-12,14H2,1-4H3,(H,27,32)(H,28,29)(H,30,33);1,6-8,14,16,30H,5,9-13,15H2,2-3H3,(H,26,31)(H,27,28)(H,29,32);6-8,12,14,24H,5,9-11,13H2,1-4H3,(H,26,28);4-6,10,12,22H,7-9,11H2,1-3H3,(H,24,27)(H,25,26)
• InChIKey: HUVUWEIFKMLFKU-UHFFFAOYSA-N
• XLogP: 20.86
• TPSA: 470.43 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 20
• Rotatable Bonds: 35
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2084.68
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate?

The IUPAC name of 5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate (CID 158594470) is 5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate.

What is the SMILES notation for 5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate?

The canonical SMILES for 5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate is C#Cc1cnc(C(=O)Nc2ccc(CC(=O)NCCCO)cc2C2=CCC(C)(C)CC2)[nH]1.CCOC(=O)Cc1ccc(NC(=O)c2cc(C)c[nH]2)c(C2=CCC(C)(C)CC2)n1.CN(C)CCNC(=O)Cc1ccc(NC(=O)c2ncc(C#N)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1c[nH]c(C(=O)Nc2ccc(CC(=O)O)nc2C2=CCC(C)(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)OCCN(C)C)cc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of 5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate?

The InChIKey is HUVUWEIFKMLFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2.C25H32N6O2.C25H30N4O3.C23H29N3O3.C21H25N3O3/c1-18-17-27-23(28-18)24(31)29-22-9-8-20(26(4,5)32-15-14-30(6)7)16-21(22)19-10-12-25(2,3)13-11-19;1-25(2)9-7-18(8-10-25)20-13-17(14-22(32)27-11-12-31(3)4)5-6-21(20)30-24(33)23-28-16-19(15-26)29-23;1-4-19-16-27-23(28-19)24(32)29-21-7-6-17(15-22(31)26-12-5-13-30)14-20(21)18-8-10-25(2,3)11-9-18;1-5-29-20(27)13-17-6-7-18(26-22(28)19-12-15(2)14-24-19)21(25-17)16-8-10-23(3,4)11-9-16;1-13-10-17(22-12-13)20(27)24-16-5-4-15(11-18(25)26)23-19(16)14-6-8-21(2,3)9-7-14/h8-10,16-17H,11-15H2,1-7H3,(H,27,28)(H,29,31);5-7,13,16H,8-12,14H2,1-4H3,(H,27,32)(H,28,29)(H,30,33);1,6-8,14,16,30H,5,9-13,15H2,2-3H3,(H,26,31)(H,27,28)(H,29,32);6-8,12,14,24H,5,9-11,13H2,1-4H3,(H,26,28);4-6,10,12,22H,7-9,11H2,1-3H3,(H,24,27)(H,25,26).

What are the key properties of 5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate?

5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate has a molecular weight of 2084.68 g/mol, XLogP of 20.86, 35 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide;N-[4-[2-[2-(dimethylamino)ethoxy]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-(3-hydroxypropylamino)-2-oxoethyl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(4-methyl-1H-pyrrole-2-carbonyl)amino]-2-pyridinyl]acetate is sourced from PubChem (CID 158594470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).