N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide

C160H193Cl2F13N12O16 — CID 164948361

IUPACN-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCC1CCC(CC(=O)c2cc3nc(Cc4cc(CNC(=O)C(C)(C)C)ccc4Cl)n(C)c3cc2OCCF)CC1.CCOc1cc2c(cc1C(=O)CC1CCC(C)CC1)N=C(Cc1cc(CNC(=O)C(C)(C)C)ccc1C(F)(F)F)C2.CCOc1cc2c(cc1C(=O)CC1CCC(C)CC1)nc(Cc1cc(CNC(=O)C(C)(C)C)ccc1C(F)(F)F)n2C.COc1cc2c(cc1C(=O)CC1CCC(C)CC1)N=C(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)C2.COc1cc2c(cc1C(=O)CC1CCC(C)CC1)N=C(Cc1cc(CNC(=O)C3(O)CC3)ccc1C(F)(F)F)C2
InChIInChI=1S/C33H42F3N3O3.C33H41F3N2O3.C32H41ClFN3O3.C31H34ClF3N2O3.C31H35F3N2O4/c1-7-42-29-18-27-26(17-24(29)28(40)15-21-10-8-20(2)9-11-21)38-30(39(27)6)16-23-14-22(12-13-25(23)33(34,35)36)19-37-31(41)32(3,4)5;1-6-41-30-17-24-16-25(38-28(24)18-26(30)29(39)14-21-9-7-20(2)8-10-21)15-23-13-22(11-12-27(23)33(34,35)36)19-37-31(40)32(3,4)5;1-20-6-8-21(9-7-20)15-28(38)24-17-26-27(18-29(24)40-13-12-34)37(5)30(36-26)16-23-14-22(10-11-25(23)33)19-35-31(39)32(2,3)4;1-18-3-5-19(6-4-18)12-27(38)24-16-26-22(15-28(24)40-2)14-23(37-26)13-21-11-20(7-8-25(21)32)17-36-29(39)30(9-10-30)31(33,34)35;1-18-3-5-19(6-4-18)12-27(37)24-16-26-22(15-28(24)40-2)14-23(36-26)13-21-11-20(7-8-25(21)31(32,33)34)17-35-29(38)30(39)9-10-30/h12-14,17-18,20-21H,7-11,15-16,19H2,1-6H3,(H,37,41);11-13,17-18,20-21H,6-10,14-16,19H2,1-5H3,(H,37,40);10-11,14,17-18,20-21H,6-9,12-13,15-16,19H2,1-5H3,(H,35,39);7-8,11,15-16,18-19H,3-6,9-10,12-14,17H2,1-2H3,(H,36,39);7-8,11,15-16,18-19,39H,3-6,9-10,12-14,17H2,1-2H3,(H,35,38)
InChIKeyAEOAYJLKMHGZTR-UHFFFAOYSA-N
MW2858.25 g/mol
LogP36.61
Rot. Bonds46

About N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide

N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 164948361) has the molecular formula C160H193Cl2F13N12O16 and a molecular weight of 2858.25 g/mol. Its IUPAC name is N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID164948361
Molecular FormulaC160H193Cl2F13N12O16
Molecular Weight2858.25 g/mol
Exact Mass2855.38
IUPAC NameN-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCC1CCC(CC(=O)c2cc3nc(Cc4cc(CNC(=O)C(C)(C)C)ccc4Cl)n(C)c3cc2OCCF)CC1.CCOc1cc2c(cc1C(=O)CC1CCC(C)CC1)N=C(Cc1cc(CNC(=O)C(C)(C)C)ccc1C(F)(F)F)C2.CCOc1cc2c(cc1C(=O)CC1CCC(C)CC1)nc(Cc1cc(CNC(=O)C(C)(C)C)ccc1C(F)(F)F)n2C.COc1cc2c(cc1C(=O)CC1CCC(C)CC1)N=C(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)C2.COc1cc2c(cc1C(=O)CC1CCC(C)CC1)N=C(Cc1cc(CNC(=O)C3(O)CC3)ccc1C(F)(F)F)C2
InChIInChI=1S/C33H42F3N3O3.C33H41F3N2O3.C32H41ClFN3O3.C31H34ClF3N2O3.C31H35F3N2O4/c1-7-42-29-18-27-26(17-24(29)28(40)15-21-10-8-20(2)9-11-21)38-30(39(27)6)16-23-14-22(12-13-25(23)33(34,35)36)19-37-31(41)32(3,4)5;1-6-41-30-17-24-16-25(38-28(24)18-26(30)29(39)14-21-9-7-20(2)8-10-21)15-23-13-22(11-12-27(23)33(34,35)36)19-37-31(40)32(3,4)5;1-20-6-8-21(9-7-20)15-28(38)24-17-26-27(18-29(24)40-13-12-34)37(5)30(36-26)16-23-14-22(10-11-25(23)33)19-35-31(39)32(2,3)4;1-18-3-5-19(6-4-18)12-27(38)24-16-26-22(15-28(24)40-2)14-23(37-26)13-21-11-20(7-8-25(21)32)17-36-29(39)30(9-10-30)31(33,34)35;1-18-3-5-19(6-4-18)12-27(37)24-16-26-22(15-28(24)40-2)14-23(36-26)13-21-11-20(7-8-25(21)31(32,33)34)17-35-29(38)30(39)9-10-30/h12-14,17-18,20-21H,7-11,15-16,19H2,1-6H3,(H,37,41);11-13,17-18,20-21H,6-10,14-16,19H2,1-5H3,(H,37,40);10-11,14,17-18,20-21H,6-9,12-13,15-16,19H2,1-5H3,(H,35,39);7-8,11,15-16,18-19H,3-6,9-10,12-14,17H2,1-2H3,(H,36,39);7-8,11,15-16,18-19,39H,3-6,9-10,12-14,17H2,1-2H3,(H,35,38)
InChIKeyAEOAYJLKMHGZTR-UHFFFAOYSA-N
XLogP36.61
TPSA369.95 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds46
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002858.25
LogP ≤ 536.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-[[2,6-dichloro-3-[[[(2S)-2-hydroxypropanoyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 146967518
2-[[2,6-dichloro-3-[[(2-methoxy-2-methylpropanoyl)amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 147009886
N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 147451059
2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]-1-methylbenzimidazole-5-carboxamide
CID 148858788
N-(3-chloro-4-fluorophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide
CID 149001418
2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 149295431
2-[[2,6-dichloro-3-[[(2-methyloxolane-2-carbonyl)amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 149427462
N-(3-chloro-4-fluorophenyl)-2-[[2,6-dichloro-3-[[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 153026409
2-[[2,6-dichloro-3-[[(2-hydroxyacetyl)amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 157118785
CID 157150335
CID 157150335
2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 157150339
2-[[2,6-dichloro-3-[(2-hydroxypropanoylamino)methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 157155811

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 164948361) is N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide is CC1CCC(CC(=O)c2cc3nc(Cc4cc(CNC(=O)C(C)(C)C)ccc4Cl)n(C)c3cc2OCCF)CC1.CCOc1cc2c(cc1C(=O)CC1CCC(C)CC1)N=C(Cc1cc(CNC(=O)C(C)(C)C)ccc1C(F)(F)F)C2.CCOc1cc2c(cc1C(=O)CC1CCC(C)CC1)nc(Cc1cc(CNC(=O)C(C)(C)C)ccc1C(F)(F)F)n2C.COc1cc2c(cc1C(=O)CC1CCC(C)CC1)N=C(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)C2.COc1cc2c(cc1C(=O)CC1CCC(C)CC1)N=C(Cc1cc(CNC(=O)C3(O)CC3)ccc1C(F)(F)F)C2.
What is the InChIKey of N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is AEOAYJLKMHGZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42F3N3O3.C33H41F3N2O3.C32H41ClFN3O3.C31H34ClF3N2O3.C31H35F3N2O4/c1-7-42-29-18-27-26(17-24(29)28(40)15-21-10-8-20(2)9-11-21)38-30(39(27)6)16-23-14-22(12-13-25(23)33(34,35)36)19-37-31(41)32(3,4)5;1-6-41-30-17-24-16-25(38-28(24)18-26(30)29(39)14-21-9-7-20(2)8-10-21)15-23-13-22(11-12-27(23)33(34,35)36)19-37-31(40)32(3,4)5;1-20-6-8-21(9-7-20)15-28(38)24-17-26-27(18-29(24)40-13-12-34)37(5)30(36-26)16-23-14-22(10-11-25(23)33)19-35-31(39)32(2,3)4;1-18-3-5-19(6-4-18)12-27(38)24-16-26-22(15-28(24)40-2)14-23(37-26)13-21-11-20(7-8-25(21)32)17-36-29(39)30(9-10-30)31(33,34)35;1-18-3-5-19(6-4-18)12-27(37)24-16-26-22(15-28(24)40-2)14-23(36-26)13-21-11-20(7-8-25(21)31(32,33)34)17-35-29(38)30(39)9-10-30/h12-14,17-18,20-21H,7-11,15-16,19H2,1-6H3,(H,37,41);11-13,17-18,20-21H,6-10,14-16,19H2,1-5H3,(H,37,40);10-11,14,17-18,20-21H,6-9,12-13,15-16,19H2,1-5H3,(H,35,39);7-8,11,15-16,18-19H,3-6,9-10,12-14,17H2,1-2H3,(H,36,39);7-8,11,15-16,18-19,39H,3-6,9-10,12-14,17H2,1-2H3,(H,35,38).
What are the key properties of N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 2858.25 g/mol, XLogP of 36.61, 46 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164948361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).