ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate

C153H178N16O21 — CID 158549323

IUPACethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3ccc(CO)cc32)CC1.CCOC(=O)C1CCC(n2c(NC(=O)c3ccc(C)cc3)nc3ccc(CO)cc32)CC1.CCc1ccc2c(c1)N(C1CCC(C(=O)NC(C)C)CC1)/C(=N/C(=O)c1ccc(C)cc1)C2.COC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CO)cc32)CC1.COC(=O)C1CCC(n2c(NC(=O)c3ccccc3)nc3ccc(CO)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CO)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C28H35N3O2.C27H33N3O3.C25H29N3O4.2C25H28N2O4.C23H25N3O4/c1-5-20-8-11-23-17-26(30-28(33)21-9-6-19(4)7-10-21)31(25(23)16-20)24-14-12-22(13-15-24)27(32)29-18(2)3;1-17(2)28-26(32)21-10-12-23(13-11-21)30-24-14-19(16-31)6-9-22(24)15-25(30)29-27(33)20-7-4-18(3)5-8-20;1-3-32-24(31)19-9-11-20(12-10-19)28-22-14-17(15-29)6-13-21(22)26-25(28)27-23(30)18-7-4-16(2)5-8-18;1-16-3-6-18(7-4-16)24(29)26-23-14-20-8-5-17(15-28)13-22(20)27(23)21-11-9-19(10-12-21)25(30)31-2;1-2-31-25(30)19-10-12-21(13-11-19)27-22-14-17(16-28)8-9-20(22)15-23(27)26-24(29)18-6-4-3-5-7-18;1-30-22(29)17-8-10-18(11-9-17)26-20-13-15(14-27)7-12-19(20)24-23(26)25-21(28)16-5-3-2-4-6-16/h6-11,16,18,22,24H,5,12-15,17H2,1-4H3,(H,29,32);4-9,14,17,21,23,31H,10-13,15-16H2,1-3H3,(H,28,32);4-8,13-14,19-20,29H,3,9-12,15H2,1-2H3,(H,26,27,30);3-8,13,19,21,28H,9-12,14-15H2,1-2H3;3-9,14,19,21,28H,2,10-13,15-16H2,1H3;2-7,12-13,17-18,27H,8-11,14H2,1H3,(H,24,25,28)/b30-26+;29-25+;;2*26-23+;
InChIKeyHPNAXNXMIDSFOL-NKULXYSRSA-N
MW2577.20 g/mol
LogP25.21
Rot. Bonds30

About ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate

ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate (PubChem CID 158549323) has the molecular formula C153H178N16O21 and a molecular weight of 2577.20 g/mol. Its IUPAC name is ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate
PubChem CID158549323
Molecular FormulaC153H178N16O21
Molecular Weight2577.20 g/mol
Exact Mass2575.34
IUPAC Nameethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3ccc(CO)cc32)CC1.CCOC(=O)C1CCC(n2c(NC(=O)c3ccc(C)cc3)nc3ccc(CO)cc32)CC1.CCc1ccc2c(c1)N(C1CCC(C(=O)NC(C)C)CC1)/C(=N/C(=O)c1ccc(C)cc1)C2.COC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CO)cc32)CC1.COC(=O)C1CCC(n2c(NC(=O)c3ccccc3)nc3ccc(CO)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CO)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C28H35N3O2.C27H33N3O3.C25H29N3O4.2C25H28N2O4.C23H25N3O4/c1-5-20-8-11-23-17-26(30-28(33)21-9-6-19(4)7-10-21)31(25(23)16-20)24-14-12-22(13-15-24)27(32)29-18(2)3;1-17(2)28-26(32)21-10-12-23(13-11-21)30-24-14-19(16-31)6-9-22(24)15-25(30)29-27(33)20-7-4-18(3)5-8-20;1-3-32-24(31)19-9-11-20(12-10-19)28-22-14-17(15-29)6-13-21(22)26-25(28)27-23(30)18-7-4-16(2)5-8-18;1-16-3-6-18(7-4-16)24(29)26-23-14-20-8-5-17(15-28)13-22(20)27(23)21-11-9-19(10-12-21)25(30)31-2;1-2-31-25(30)19-10-12-21(13-11-19)27-22-14-17(16-28)8-9-20(22)15-23(27)26-24(29)18-6-4-3-5-7-18;1-30-22(29)17-8-10-18(11-9-17)26-20-13-15(14-27)7-12-19(20)24-23(26)25-21(28)16-5-3-2-4-6-16/h6-11,16,18,22,24H,5,12-15,17H2,1-4H3,(H,29,32);4-9,14,17,21,23,31H,10-13,15-16H2,1-3H3,(H,28,32);4-8,13-14,19-20,29H,3,9-12,15H2,1-2H3,(H,26,27,30);3-8,13,19,21,28H,9-12,14-15H2,1-2H3;3-9,14,19,21,28H,2,10-13,15-16H2,1H3;2-7,12-13,17-18,27H,8-11,14H2,1H3,(H,24,25,28)/b30-26+;29-25+;;2*26-23+;
InChIKeyHPNAXNXMIDSFOL-NKULXYSRSA-N
XLogP25.21
TPSA489.07 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002577.20
LogP ≤ 525.21
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-[2-[[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyloxy]-1-fluoroethyl]carbamic acid
CID 69270916
bis(2-[1-(2-aminoacetyl)-2,3-dihydroindol-2-yl]-3H-benzimidazole-5-carboxylic acid);2,2,2-trifluoroacetic acid;dihydrate
CID 69838418
4-[[[5-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyl-ethylamino]-[5-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]carbamoyl]oxybut-2-ynyl-[5-[1-hydroxy-3-oxo-2-[3-(trifluoromethyl)phenyl]isoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 87761643
2-[(3S)-3-aminopyrrolidin-1-yl]-1-[[2-[1-[1-[5-carboxy-1-[[2-(1,1-difluoroethyl)phenyl]methyl]benzimidazol-2-yl]pyrrolidin-2-yl]-2-fluoropropan-2-yl]phenyl]methyl]benzimidazole-5-carboxylic acid
CID 145529902
1-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazole-5-carbonyl]-N-cyclopropylpyrrolidine-3-carboxamide;2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazole-5-carboxylic acid
CID 157135676
tetrakis(4-[[(2S)-2-cyclohexyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetyl]amino]-3-(trifluoromethyl)benzoic acid);ethane;sulfane
CID 157243949
Ethyl 4-[2-amino-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[5-(piperidin-1-ylmethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;3-(trifluoromethyl)benzoic acid
CID 157322286
carbononitridic bromide;cobalt;N-cyclohexyl-4-fluoro-2-methylaniline;1,4-difluoro-2-nitrobenzene;ethane;ethyl 4-aminocyclohexane-1-carboxylate;ethyl 4-(2-amino-5-fluorobenzimidazol-1-yl)cyclohexane-1-carboxylate;ethyl 4-[5-fluoro-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[5-fluoro-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;3-(trifluoromethyl)benzoic acid
CID 157366581
2-[3-Hexyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-(3-phenylpropyl)benzimidazole-5-carboxylic acid;2-[2-(2-hydroxyphenyl)-3-pentylbenzimidazol-4-yl]-1-(3-methoxypropyl)benzimidazole-5-carboxylic acid;methyl 2-[2-(3-methoxypropylamino)-3-(3-methylbutyl)benzimidazol-4-yl]-1-pentylbenzimidazole-5-carboxylate;methyl 2-[2-(3-methoxypropylamino)-3-(2-methylpropyl)benzimidazol-4-yl]-1-pentylbenzimidazole-5-carboxylate;methyl 2-[2-(3-methoxypropylamino)-3-(3-phenylpropyl)benzimidazol-4-yl]-1-(3-methylbutyl)benzimidazole-5-carboxylate;methyl 1-(3-methoxypropyl)-2-[3-(3-methoxypropyl)-2-(2-phenylethylamino)benzimidazol-4-yl]benzimidazole-5-carboxylate
CID 157623714
(2-amino-1-phenylbenzimidazol-5-yl)methanol;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazole-5-carboxylic acid;3-(trifluoromethyl)benzoic acid;hydrochloride
CID 157626155
tetrakis(4-[[(2S)-2-cyclohexyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetyl]amino]-3-(trifluoromethyl)benzoic acid);ethane
CID 157725704
N-[5-[1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxocyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxocyclopentyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(5-oxo-2H-furan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 157774555

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate (CID 158549323) is ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3ccc(CO)cc32)CC1.CCOC(=O)C1CCC(n2c(NC(=O)c3ccc(C)cc3)nc3ccc(CO)cc32)CC1.CCc1ccc2c(c1)N(C1CCC(C(=O)NC(C)C)CC1)/C(=N/C(=O)c1ccc(C)cc1)C2.COC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CO)cc32)CC1.COC(=O)C1CCC(n2c(NC(=O)c3ccccc3)nc3ccc(CO)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CO)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.
What is the InChIKey of ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate?
The InChIKey is HPNAXNXMIDSFOL-NKULXYSRSA-N. The full InChI is InChI=1S/C28H35N3O2.C27H33N3O3.C25H29N3O4.2C25H28N2O4.C23H25N3O4/c1-5-20-8-11-23-17-26(30-28(33)21-9-6-19(4)7-10-21)31(25(23)16-20)24-14-12-22(13-15-24)27(32)29-18(2)3;1-17(2)28-26(32)21-10-12-23(13-11-21)30-24-14-19(16-31)6-9-22(24)15-25(30)29-27(33)20-7-4-18(3)5-8-20;1-3-32-24(31)19-9-11-20(12-10-19)28-22-14-17(15-29)6-13-21(22)26-25(28)27-23(30)18-7-4-16(2)5-8-18;1-16-3-6-18(7-4-16)24(29)26-23-14-20-8-5-17(15-28)13-22(20)27(23)21-11-9-19(10-12-21)25(30)31-2;1-2-31-25(30)19-10-12-21(13-11-19)27-22-14-17(16-28)8-9-20(22)15-23(27)26-24(29)18-6-4-3-5-7-18;1-30-22(29)17-8-10-18(11-9-17)26-20-13-15(14-27)7-12-19(20)24-23(26)25-21(28)16-5-3-2-4-6-16/h6-11,16,18,22,24H,5,12-15,17H2,1-4H3,(H,29,32);4-9,14,17,21,23,31H,10-13,15-16H2,1-3H3,(H,28,32);4-8,13-14,19-20,29H,3,9-12,15H2,1-2H3,(H,26,27,30);3-8,13,19,21,28H,9-12,14-15H2,1-2H3;3-9,14,19,21,28H,2,10-13,15-16H2,1H3;2-7,12-13,17-18,27H,8-11,14H2,1H3,(H,24,25,28)/b30-26+;29-25+;;2*26-23+;.
What are the key properties of ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate?
ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate has a molecular weight of 2577.20 g/mol, XLogP of 25.21, 30 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-benzoylimino-6-(hydroxymethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[6-(hydroxymethyl)-2-[(4-methylbenzoyl)amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[6-ethyl-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;N-[6-(hydroxymethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-benzamido-6-(hydroxymethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;methyl 4-[6-(hydroxymethyl)-2-(4-methylbenzoyl)imino-3H-indol-1-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 158549323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).