(E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride

C112H142ClN17O13 — CID 161188850

About (E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride

(E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride (PubChem CID 161188850) has the molecular formula C112H142ClN17O13 and a molecular weight of 1969.93 g/mol. Its IUPAC name is (E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride
• PubChem CID: 161188850
• Molecular Formula: C112H142ClN17O13
• Molecular Weight: 1969.93 g/mol
• Exact Mass: 1968.07
• IUPAC Name: (E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride
• SMILES: COCC(O)Cc1ccc(NC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(/C=C/C(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(O)C(=O)O)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl
• InChI: InChI=1S/C26H36N4O.C23H31N3O3.C22H28N4O2.C21H25N3O4.C20H21N3O3.ClH/c1-18-17-27-23(28-18)24(31)29-22-9-8-20(26(4,5)30-14-6-7-15-30)16-21(22)19-10-12-25(2,3)13-11-19;1-15-13-24-21(25-15)22(28)26-20-6-5-16(11-18(27)14-29-4)12-19(20)17-7-9-23(2,3)10-8-17;1-16-14-23-21(24-16)22(27)25-20-8-7-17(15-26-9-11-28-12-10-26)13-19(20)18-5-3-2-4-6-18;1-12-11-22-18(23-12)19(26)24-16-5-4-14(17(25)20(27)28)10-15(16)13-6-8-21(2,3)9-7-13;1-13-12-21-19(22-13)20(26)23-17-9-7-14(8-10-18(24)25)11-16(17)15-5-3-2-4-6-15;/h8-10,16-17H,6-7,11-15H2,1-5H3,(H,27,28)(H,29,31);5-7,12-13,18,27H,8-11,14H2,1-4H3,(H,24,25)(H,26,28);5,7-8,13-14H,2-4,6,9-12,15H2,1H3,(H,23,24)(H,25,27);4-6,10-11,17,25H,7-9H2,1-3H3,(H,22,23)(H,24,26)(H,27,28);5,7-12H,2-4,6H2,1H3,(H,21,22)(H,23,26)(H,24,25);1H/b;;;;10-8+
• InChIKey: AJKUJOGXTXEVJF-AARHHTGXSA-N
• XLogP: 21.90
• TPSA: 428.90 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1969.93
LogP ≤ 5	21.90
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride?

The IUPAC name of (E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride (CID 161188850) is (E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride.

What is the SMILES notation for (E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride?

The canonical SMILES for (E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride is COCC(O)Cc1ccc(NC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(/C=C/C(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCCC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(O)C(=O)O)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl.

What is the InChIKey of (E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride?

The InChIKey is AJKUJOGXTXEVJF-AARHHTGXSA-N. The full InChI is InChI=1S/C26H36N4O.C23H31N3O3.C22H28N4O2.C21H25N3O4.C20H21N3O3.ClH/c1-18-17-27-23(28-18)24(31)29-22-9-8-20(26(4,5)30-14-6-7-15-30)16-21(22)19-10-12-25(2,3)13-11-19;1-15-13-24-21(25-15)22(28)26-20-6-5-16(11-18(27)14-29-4)12-19(20)17-7-9-23(2,3)10-8-17;1-16-14-23-21(24-16)22(27)25-20-8-7-17(15-26-9-11-28-12-10-26)13-19(20)18-5-3-2-4-6-18;1-12-11-22-18(23-12)19(26)24-16-5-4-14(17(25)20(27)28)10-15(16)13-6-8-21(2,3)9-7-13;1-13-12-21-19(22-13)20(26)23-17-9-7-14(8-10-18(24)25)11-16(17)15-5-3-2-4-6-15;/h8-10,16-17H,6-7,11-15H2,1-5H3,(H,27,28)(H,29,31);5-7,12-13,18,27H,8-11,14H2,1-4H3,(H,24,25)(H,26,28);5,7-8,13-14H,2-4,6,9-12,15H2,1H3,(H,23,24)(H,25,27);4-6,10-11,17,25H,7-9H2,1-3H3,(H,22,23)(H,24,26)(H,27,28);5,7-12H,2-4,6H2,1H3,(H,21,22)(H,23,26)(H,24,25);1H/b;;;;10-8+;.

What are the key properties of (E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride?

(E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride has a molecular weight of 1969.93 g/mol, XLogP of 21.90, 27 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]prop-2-enoic acid;N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-hydroxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 161188850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).