(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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride

C134H167ClF3N21O17 — CID 161011408

IUPAC(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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride
SMILESCOCC(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(CC(=O)O)nc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl.O=CC(F)(F)F
InChIInChI=1S/C26H36N4O.C23H31N3O3.C22H28N4O2.C21H25N3O4.C20H24N4O3.C20H21N3O3.C2HF3O.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;1-12-11-21-18(22-12)19(27)24-15-5-4-14(10-16(25)26)23-17(15)13-6-8-20(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;3-2(4,5)1-6;/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);4-6,11H,7-10H2,1-3H3,(H,21,22)(H,24,27)(H,25,26);5,7-12H,2-4,6H2,1H3,(H,21,22)(H,23,26)(H,24,25);1H;1H/b;;;;;10-8+;;
InChIKeyJTLKMCHCMOIRAR-HBAGCXJVSA-N
MW2436.39 g/mol
LogP26.23
Rot. Bonds32

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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride (PubChem CID 161011408) has the molecular formula C134H167ClF3N21O17 and a molecular weight of 2436.39 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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride
PubChem CID161011408
Molecular FormulaC134H167ClF3N21O17
Molecular Weight2436.39 g/mol
Exact Mass2434.25
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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride
SMILESCOCC(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(CC(=O)O)nc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl.O=CC(F)(F)F
InChIInChI=1S/C26H36N4O.C23H31N3O3.C22H28N4O2.C21H25N3O4.C20H24N4O3.C20H21N3O3.C2HF3O.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;1-12-11-21-18(22-12)19(27)24-15-5-4-14(10-16(25)26)23-17(15)13-6-8-20(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;3-2(4,5)1-6;/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);4-6,11H,7-10H2,1-3H3,(H,21,22)(H,24,27)(H,25,26);5,7-12H,2-4,6H2,1H3,(H,21,22)(H,23,26)(H,24,25);1H;1H/b;;;;;10-8+;;
InChIKeyJTLKMCHCMOIRAR-HBAGCXJVSA-N
XLogP26.23
TPSA553.94 Ų
H-Bond Donors17
H-Bond Acceptors23
Rotatable Bonds32
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002436.39
LogP ≤ 526.23
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze (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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride with MolForge

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Related Compounds

2-amino-N,N-dimethyl-5-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-amino-N,N-dimethyl-6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxamide;[2-[3-amino-5-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-3-pyridinyl]methanol;4-[3-amino-6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one;4-[3-[2-ethyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;4-[3-[3-(2-fluoroethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one
CID 159967486
(E)-3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]prop-2-enoic acid;2-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-2-hydroxyacetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2,2,2-trifluoroacetaldehyde;hydrochloride
CID 160428192
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
(E)-3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]prop-2-enoic acid;2-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-hydroxy-3-methoxypropyl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]-2-pyridinyl]acetic acid);ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]-2-pyridinyl]acetate
CID 157749634
N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[1-(4-ethylpiperazin-1-yl)cyclopentyl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;1-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]cyclopentane-1-carboxylic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 158021170
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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;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 158422193
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
N-[4-(4-aminooxan-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;2-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxan-4-yl]oxyacetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 160893116
(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
(E)-3-[3-(cyclohexen-1-yl)-4-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]prop-2-enoic acid;2-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R)-2-hydroxy-3-methoxypropyl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]-2-pyridinyl]acetic acid;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[2-(4-methyl-1H-pyrrol-2-yl)-2-oxoethyl]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[2-(4-methyl-1H-pyrrol-2-yl)-2-oxoethyl]-2-pyridinyl]acetate
CID 162138362

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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride (CID 161011408) 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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;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(CC(=O)O)nc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(CN3CCOCC3)cc2C2=CCCCC2)[nH]1.Cl.O=CC(F)(F)F.
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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride?
The InChIKey is JTLKMCHCMOIRAR-HBAGCXJVSA-N. The full InChI is InChI=1S/C26H36N4O.C23H31N3O3.C22H28N4O2.C21H25N3O4.C20H24N4O3.C20H21N3O3.C2HF3O.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;1-12-11-21-18(22-12)19(27)24-15-5-4-14(10-16(25)26)23-17(15)13-6-8-20(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;3-2(4,5)1-6;/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);4-6,11H,7-10H2,1-3H3,(H,21,22)(H,24,27)(H,25,26);5,7-12H,2-4,6H2,1H3,(H,21,22)(H,23,26)(H,24,25);1H;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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride has a molecular weight of 2436.39 g/mol, XLogP of 26.23, 32 rotatable bonds, 17 hydrogen bond donors, and 23 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;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[(5-methyl-1H-imidazole-2-carbonyl)amino]-2-pyridinyl]acetic acid;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride is sourced from PubChem (CID 161011408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).