ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide

C149H188N20O13 — CID 158039840

IUPACethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
SMILESCCNC(=O)C1CCC(n2c(NC(=O)c3ccc(C)cc3)nc3ccc(CN4CCCCC4)cc32)CC1.CCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CN4CCCCC4)cc32)CC1.CCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3ccc(CN4CCCCC4)cc32)CC1.CNC(=O)C1CCC(n2c(NC(=O)c3ccc(C)cc3)nc3ccc(CN4CCCCC4)cc32)CC1.COC(=O)C1CCC(n2c(NC(=O)c3cccc(C)c3)nc3ccc(CN4CCCCC4)cc32)CC1
InChIInChI=1S/C31H39N3O3.C30H39N5O2.C30H37N3O3.C29H37N5O2.C29H36N4O3/c1-3-37-31(36)25-13-15-27(16-14-25)34-28-19-23(21-33-17-5-4-6-18-33)9-12-26(28)20-29(34)32-30(35)24-10-7-22(2)8-11-24;1-3-31-28(36)23-12-14-25(15-13-23)35-27-19-22(20-34-17-5-4-6-18-34)9-16-26(27)32-30(35)33-29(37)24-10-7-21(2)8-11-24;1-2-36-30(35)24-13-15-26(16-14-24)33-27-19-22(21-32-17-7-4-8-18-32)11-12-25(27)20-28(33)31-29(34)23-9-5-3-6-10-23;1-20-6-9-23(10-7-20)28(36)32-29-31-25-15-8-21(19-33-16-4-3-5-17-33)18-26(25)34(29)24-13-11-22(12-14-24)27(35)30-2;1-20-7-6-8-23(17-20)27(34)31-29-30-25-14-9-21(19-32-15-4-3-5-16-32)18-26(25)33(29)24-12-10-22(11-13-24)28(35)36-2/h7-12,19,25,27H,3-6,13-18,20-21H2,1-2H3;7-11,16,19,23,25H,3-6,12-15,17-18,20H2,1-2H3,(H,31,36)(H,32,33,37);3,5-6,9-12,19,24,26H,2,4,7-8,13-18,20-21H2,1H3;6-10,15,18,22,24H,3-5,11-14,16-17,19H2,1-2H3,(H,30,35)(H,31,32,36);6-9,14,17-18,22,24H,3-5,10-13,15-16,19H2,1-2H3,(H,30,31,34)/b32-29+;;31-28+;;
InChIKeyFIFGHTKQTCCLLS-WQGMFOHCSA-N
MW2467.27 g/mol
LogP27.10
Rot. Bonds31

About ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide

ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide (PubChem CID 158039840) has the molecular formula C149H188N20O13 and a molecular weight of 2467.27 g/mol. Its IUPAC name is ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Nameethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
PubChem CID158039840
Molecular FormulaC149H188N20O13
Molecular Weight2467.27 g/mol
Exact Mass2465.47
IUPAC Nameethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
SMILESCCNC(=O)C1CCC(n2c(NC(=O)c3ccc(C)cc3)nc3ccc(CN4CCCCC4)cc32)CC1.CCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CN4CCCCC4)cc32)CC1.CCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3ccc(CN4CCCCC4)cc32)CC1.CNC(=O)C1CCC(n2c(NC(=O)c3ccc(C)cc3)nc3ccc(CN4CCCCC4)cc32)CC1.COC(=O)C1CCC(n2c(NC(=O)c3cccc(C)c3)nc3ccc(CN4CCCCC4)cc32)CC1
InChIInChI=1S/C31H39N3O3.C30H39N5O2.C30H37N3O3.C29H37N5O2.C29H36N4O3/c1-3-37-31(36)25-13-15-27(16-14-25)34-28-19-23(21-33-17-5-4-6-18-33)9-12-26(28)20-29(34)32-30(35)24-10-7-22(2)8-11-24;1-3-31-28(36)23-12-14-25(15-13-23)35-27-19-22(20-34-17-5-4-6-18-34)9-16-26(27)32-30(35)33-29(37)24-10-7-21(2)8-11-24;1-2-36-30(35)24-13-15-26(16-14-24)33-27-19-22(21-32-17-7-4-8-18-32)11-12-25(27)20-28(33)31-29(34)23-9-5-3-6-10-23;1-20-6-9-23(10-7-20)28(36)32-29-31-25-15-8-21(19-33-16-4-3-5-17-33)18-26(25)34(29)24-13-11-22(12-14-24)27(35)30-2;1-20-7-6-8-23(17-20)27(34)31-29-30-25-14-9-21(19-32-15-4-3-5-16-32)18-26(25)33(29)24-12-10-22(11-13-24)28(35)36-2/h7-12,19,25,27H,3-6,13-18,20-21H2,1-2H3;7-11,16,19,23,25H,3-6,12-15,17-18,20H2,1-2H3,(H,31,36)(H,32,33,37);3,5-6,9-12,19,24,26H,2,4,7-8,13-18,20-21H2,1H3;6-10,15,18,22,24H,3-5,11-14,16-17,19H2,1-2H3,(H,30,35)(H,31,32,36);6-9,14,17-18,22,24H,3-5,10-13,15-16,19H2,1-2H3,(H,30,31,34)/b32-29+;;31-28+;;
InChIKeyFIFGHTKQTCCLLS-WQGMFOHCSA-N
XLogP27.10
TPSA359.40 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002467.27
LogP ≤ 527.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

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-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide with MolForge

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Related Compounds

[(3R,4S)-3-amino-4-ethoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3S,4S)-3-amino-4-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(2R,5S)-5-amino-2-methylpiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethyl)benzimidazol-5-yl]methanone;hydrochloride
CID 157514589
2-[2-[5-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylbenzimidazol-2-yl]indol-1-yl]acetonitrile;[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-ethynylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;bis([(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone);[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-propan-2-ylindol-2-yl)benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazol-5-yl]methanone
CID 157678232
4-methyl-N-[1-[4-[methyl(propan-2-yl)carbamoyl]cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]benzamide;methyl 4-[2-[[4-methyl-3-(prop-2-enylsulfamoyl)benzoyl]amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(2-methylpropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 157892150
N-[1-[4-(cyclopropylmethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methane;4-methyl-N-[1-[4-[methyl(propan-2-yl)carbamoyl]cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]benzamide;methyl 4-[2-[[4-methyl-3-(prop-2-enylsulfamoyl)benzoyl]amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(2-methylpropylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)-3H-indol-2-ylidene]benzamide;4-methyl-N-[6-(piperidin-1-ylmethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide
CID 160042907
N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-[2-(methylamino)ethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-[(2-oxopiperidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 160089385
ethyl 4-[5-(piperidin-1-ylmethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane
CID 160929459
4-cyano-N-[5-[(cyclohexylamino)methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[5-[[cyclohexyl(methyl)amino]methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide;4-cyano-N-[1-(3-methoxypropyl)-5-(methylaminomethyl)benzimidazol-2-yl]benzamide;4-cyano-N-[1-(3-methoxypropyl)-5-[[(1-methylpiperidin-4-yl)methylamino]methyl]benzimidazol-2-yl]benzamide;4-cyano-N-[3-(3-methoxypropyl)-6-(morpholin-4-ylmethyl)-3H-indol-2-yl]benzamide;N-[5-[[cyclohexyl(methyl)amino]methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]-4-(trifluoromethyl)benzamide
CID 161522009
N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-[2-(methylamino)ethyl]cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-[(2-oxopiperidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 161580368
(2S)-2-amino-2-phenylacetamide;1-methylpiperazine;trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxamide;trans-methyl (1R,2R)-2-[4-[(2-chlorobenzimidazol-1-yl)methyl]phenyl]cyclohexane-1-carboxylate;trans-methyl (1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylate;trans-(1R,2R)-2-[4-[[2-(4-methylpiperazin-1-yl)benzimidazol-1-yl]methyl]phenyl]cyclohexane-1-carboxylic acid
CID 91290423
14-[11-Hydroxy-15-(11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-18-yl]-15-(11-oxo-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)-7-[4-(11-oxo-6,8-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-17-yl)phenyl]-5-phenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one
CID 137551084
4-fluoro-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide;methyl 4-[2-benzamido-6-(morpholin-4-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate
CID 144326300
tert-butyl N-[(3R,6S)-1-[2-[1-ethyl-5-[(2R,5S)-1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]indol-2-yl]-1-methylbenzimidazole-5-carbonyl]-6-methylpiperidin-3-yl]carbamate
CID 145189502

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?
The IUPAC name of ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide (CID 158039840) is ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide is CCNC(=O)C1CCC(n2c(NC(=O)c3ccc(C)cc3)nc3ccc(CN4CCCCC4)cc32)CC1.CCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CN4CCCCC4)cc32)CC1.CCOC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3ccc(CN4CCCCC4)cc32)CC1.CNC(=O)C1CCC(n2c(NC(=O)c3ccc(C)cc3)nc3ccc(CN4CCCCC4)cc32)CC1.COC(=O)C1CCC(n2c(NC(=O)c3cccc(C)c3)nc3ccc(CN4CCCCC4)cc32)CC1.
What is the InChIKey of ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?
The InChIKey is FIFGHTKQTCCLLS-WQGMFOHCSA-N. The full InChI is InChI=1S/C31H39N3O3.C30H39N5O2.C30H37N3O3.C29H37N5O2.C29H36N4O3/c1-3-37-31(36)25-13-15-27(16-14-25)34-28-19-23(21-33-17-5-4-6-18-33)9-12-26(28)20-29(34)32-30(35)24-10-7-22(2)8-11-24;1-3-31-28(36)23-12-14-25(15-13-23)35-27-19-22(20-34-17-5-4-6-18-34)9-16-26(27)32-30(35)33-29(37)24-10-7-21(2)8-11-24;1-2-36-30(35)24-13-15-26(16-14-24)33-27-19-22(21-32-17-7-4-8-18-32)11-12-25(27)20-28(33)31-29(34)23-9-5-3-6-10-23;1-20-6-9-23(10-7-20)28(36)32-29-31-25-15-8-21(19-33-16-4-3-5-17-33)18-26(25)34(29)24-13-11-22(12-14-24)27(35)30-2;1-20-7-6-8-23(17-20)27(34)31-29-30-25-14-9-21(19-32-15-4-3-5-16-32)18-26(25)33(29)24-12-10-22(11-13-24)28(35)36-2/h7-12,19,25,27H,3-6,13-18,20-21H2,1-2H3;7-11,16,19,23,25H,3-6,12-15,17-18,20H2,1-2H3,(H,31,36)(H,32,33,37);3,5-6,9-12,19,24,26H,2,4,7-8,13-18,20-21H2,1H3;6-10,15,18,22,24H,3-5,11-14,16-17,19H2,1-2H3,(H,30,35)(H,31,32,36);6-9,14,17-18,22,24H,3-5,10-13,15-16,19H2,1-2H3,(H,30,31,34)/b32-29+;;31-28+;;.
What are the key properties of ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide?
ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide has a molecular weight of 2467.27 g/mol, XLogP of 27.10, 31 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-benzoylimino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]-4-methylbenzamide;ethyl 4-[2-(4-methylbenzoyl)imino-6-(piperidin-1-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-[(3-methylbenzoyl)amino]-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[1-[4-(methylcarbamoyl)cyclohexyl]-6-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 158039840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).