sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride

C123H153ClN21NaO10 — CID 158581114

About sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride

sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride (PubChem CID 158581114) has the molecular formula C123H153ClN21NaO10 and a molecular weight of 2144.16 g/mol. Its IUPAC name is sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride.

Molecular Properties

• Compound Name: sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride
• PubChem CID: 158581114
• Molecular Formula: C123H153ClN21NaO10
• Molecular Weight: 2144.16 g/mol
• Exact Mass: 2142.17
• IUPAC Name: sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride
• SMILES: C#Cc1cnc(C(=O)Nc2ccc(C(=C)CN3CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(=C)CNC)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(=C)CNCCOC)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCN(CC(=O)[O-])CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCO)cc2C2=CCC(C)(C)CC2)[nH]1.Cl.[Na+]
• InChI: InChI=1S/C28H39N5O3.C25H28N4O2.C24H34N4O2.C24H28N4O2.C22H24N4O.ClH.Na/c1-19-17-29-25(30-19)26(36)31-23-7-6-21(16-22(23)20-8-10-27(2,3)11-9-20)28(4,5)33-14-12-32(13-15-33)18-24(34)35;1-3-21-16-26-24(27-21)25(30)28-23-10-9-20(15-22(23)19-7-5-4-6-8-19)18(2)17-29-11-13-31-14-12-29;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;1-4-20-16-26-23(27-20)24(29)28-22-11-10-19(17(2)15-25-12-13-30-3)14-21(22)18-8-6-5-7-9-18;1-4-18-14-24-21(25-18)22(27)26-20-11-10-17(15(2)13-23-3)12-19(20)16-8-6-5-7-9-16;;/h6-8,16-17H,9-15,18H2,1-5H3,(H,29,30)(H,31,36)(H,34,35);1,7,9-10,15-16H,2,4-6,8,11-14,17H2,(H,26,27)(H,28,30);6-8,14-15,26,29H,9-13H2,1-5H3,(H,25,27)(H,28,30);1,8,10-11,14,16,25H,2,5-7,9,12-13,15H2,3H3,(H,26,27)(H,28,29);1,8,10-12,14,23H,2,5-7,9,13H2,3H3,(H,24,25)(H,26,27);1H;/q;;;;;;+1/p-1
• InChIKey: MNAULPCHZQLJNL-UHFFFAOYSA-M
• XLogP: 16.60
• TPSA: 413.53 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 35
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2144.16
LogP ≤ 5	16.60
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	21

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 sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride?

The IUPAC name of sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride (CID 158581114) is sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride.

What is the SMILES notation for sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride?

The canonical SMILES for sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride is C#Cc1cnc(C(=O)Nc2ccc(C(=C)CN3CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(=C)CNC)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(=C)CNCCOC)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCN(CC(=O)[O-])CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCO)cc2C2=CCC(C)(C)CC2)[nH]1.Cl.[Na+].

What is the InChIKey of sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride?

The InChIKey is MNAULPCHZQLJNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H39N5O3.C25H28N4O2.C24H34N4O2.C24H28N4O2.C22H24N4O.ClH.Na/c1-19-17-29-25(30-19)26(36)31-23-7-6-21(16-22(23)20-8-10-27(2,3)11-9-20)28(4,5)33-14-12-32(13-15-33)18-24(34)35;1-3-21-16-26-24(27-21)25(30)28-23-10-9-20(15-22(23)19-7-5-4-6-8-19)18(2)17-29-11-13-31-14-12-29;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;1-4-20-16-26-23(27-20)24(29)28-22-11-10-19(17(2)15-25-12-13-30-3)14-21(22)18-8-6-5-7-9-18;1-4-18-14-24-21(25-18)22(27)26-20-11-10-17(15(2)13-23-3)12-19(20)16-8-6-5-7-9-16;;/h6-8,16-17H,9-15,18H2,1-5H3,(H,29,30)(H,31,36)(H,34,35);1,7,9-10,15-16H,2,4-6,8,11-14,17H2,(H,26,27)(H,28,30);6-8,14-15,26,29H,9-13H2,1-5H3,(H,25,27)(H,28,30);1,8,10-11,14,16,25H,2,5-7,9,12-13,15H2,3H3,(H,26,27)(H,28,29);1,8,10-12,14,23H,2,5-7,9,13H2,3H3,(H,24,25)(H,26,27);1H;/q;;;;;;+1/p-1.

What are the key properties of sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride?

sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride has a molecular weight of 2144.16 g/mol, XLogP of 16.60, 35 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-[3-(methylamino)prop-1-en-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-5-ethynyl-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;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;hydrochloride is sourced from PubChem (CID 158581114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).