N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C136H151F10N21O16S2 — CID 158800963

IUPACN-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC(O)CNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.O=C(Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1)c1ccccc1.O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCCCC1)c1cccc(S(=O)(=O)NCCF)c1.O=C(Nc1nc2ccc(CO)cc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2ccc(N3CC[C@@H](O)C3)cc2n1-c1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H27F3N4O3.C29H39N5O4S.C28H36FN5O3S.C27H25F3N4O3.C23H24F3N3O3/c30-29(31,32)21-8-4-7-20(15-21)27(39)35-28-34-24-16-22(33-26(38)19-5-2-1-3-6-19)11-14-25(24)36(28)23-12-9-18(17-37)10-13-23;1-21(35)19-30-39(37,38)25-12-8-9-23(18-25)28(36)32-29-31-26-17-22(20-33-15-6-3-7-16-33)13-14-27(26)34(29)24-10-4-2-5-11-24;29-14-15-30-38(36,37)24-11-7-8-22(19-24)27(35)32-28-31-25-18-21(20-33-16-5-2-6-17-33)12-13-26(25)34(28)23-9-3-1-4-10-23;28-27(29,30)19-3-1-2-18(14-19)25(37)32-26-31-23-9-8-21(33-12-10-22(36)16-33)15-24(23)34(26)20-6-4-17(5-7-20)11-13-35;24-23(25,26)17-3-1-2-16(11-17)21(32)28-22-27-19-9-6-15(13-31)10-20(19)29(22)18-7-4-14(12-30)5-8-18/h1-8,11,14-16,18,23,37H,9-10,12-13,17H2,(H,33,38)(H,34,35,39);8-9,12-14,17-18,21,24,30,35H,2-7,10-11,15-16,19-20H2,1H3,(H,31,32,36);7-8,11-13,18-19,23,30H,1-6,9-10,14-17,20H2,(H,31,32,35);1-9,14-15,22,35-36H,10-13,16H2,(H,31,32,37);1-3,6,9-11,14,18,30-31H,4-5,7-8,12-13H2,(H,27,28,32)/t;;;22-;/m...1./s1
InChIKeyITMBXANOONRXGR-AFZAVZQMSA-N
MW2589.95 g/mol
LogP24.68
Rot. Bonds35

About N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 158800963) has the molecular formula C136H151F10N21O16S2 and a molecular weight of 2589.95 g/mol. Its IUPAC name is N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID158800963
Molecular FormulaC136H151F10N21O16S2
Molecular Weight2589.95 g/mol
Exact Mass2588.09
IUPAC NameN-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC(O)CNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.O=C(Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1)c1ccccc1.O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCCCC1)c1cccc(S(=O)(=O)NCCF)c1.O=C(Nc1nc2ccc(CO)cc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2ccc(N3CC[C@@H](O)C3)cc2n1-c1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H27F3N4O3.C29H39N5O4S.C28H36FN5O3S.C27H25F3N4O3.C23H24F3N3O3/c30-29(31,32)21-8-4-7-20(15-21)27(39)35-28-34-24-16-22(33-26(38)19-5-2-1-3-6-19)11-14-25(24)36(28)23-12-9-18(17-37)10-13-23;1-21(35)19-30-39(37,38)25-12-8-9-23(18-25)28(36)32-29-31-26-17-22(20-33-15-6-3-7-16-33)13-14-27(26)34(29)24-10-4-2-5-11-24;29-14-15-30-38(36,37)24-11-7-8-22(19-24)27(35)32-28-31-25-18-21(20-33-16-5-2-6-17-33)12-13-26(25)34(28)23-9-3-1-4-10-23;28-27(29,30)19-3-1-2-18(14-19)25(37)32-26-31-23-9-8-21(33-12-10-22(36)16-33)15-24(23)34(26)20-6-4-17(5-7-20)11-13-35;24-23(25,26)17-3-1-2-16(11-17)21(32)28-22-27-19-9-6-15(13-31)10-20(19)29(22)18-7-4-14(12-30)5-8-18/h1-8,11,14-16,18,23,37H,9-10,12-13,17H2,(H,33,38)(H,34,35,39);8-9,12-14,17-18,21,24,30,35H,2-7,10-11,15-16,19-20H2,1H3,(H,31,32,36);7-8,11-13,18-19,23,30H,1-6,9-10,14-17,20H2,(H,31,32,35);1-9,14-15,22,35-36H,10-13,16H2,(H,31,32,37);1-3,6,9-11,14,18,30-31H,4-5,7-8,12-13H2,(H,27,28,32)/t;;;22-;/m...1./s1
InChIKeyITMBXANOONRXGR-AFZAVZQMSA-N
XLogP24.68
TPSA487.14 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds35
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002589.95
LogP ≤ 524.68
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Analyze N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 90882905
N-[1-[4-[2-hydroxy-2-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-4-yl]ethyl]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 142233878
N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid
CID 157137570
N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 158056013
N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 158412645
N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)phenyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 158856604
N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 159249572
N-[2-[(4-tert-butylbenzoyl)sulfamoyl]phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-1-(3-methylbutyl)-2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;N-[2-(hexanoylsulfamoyl)phenyl]-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;2-[[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]sulfamoyl]benzoic acid
CID 160625357
N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(methylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 160741373
N-[5-(2,2-dimethylpropanoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 160751673
N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-methoxyethylsulfamoyl)benzamide;N-[5-(ethylcarbamoylamino)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[(2-oxopyrrolidin-1-yl)methyl]benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(propan-2-ylcarbamoylamino)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 161539621
N-[5-(1-acetylpiperidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1-acetylpiperidin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(1-acetylpyrrolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(3-hydroxyoxetan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 162209289

Frequently Asked Questions

What is the IUPAC name of N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 158800963) is N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC(O)CNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.O=C(Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1)c1ccccc1.O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCCCC1)c1cccc(S(=O)(=O)NCCF)c1.O=C(Nc1nc2ccc(CO)cc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2ccc(N3CC[C@@H](O)C3)cc2n1-c1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is ITMBXANOONRXGR-AFZAVZQMSA-N. The full InChI is InChI=1S/C29H27F3N4O3.C29H39N5O4S.C28H36FN5O3S.C27H25F3N4O3.C23H24F3N3O3/c30-29(31,32)21-8-4-7-20(15-21)27(39)35-28-34-24-16-22(33-26(38)19-5-2-1-3-6-19)11-14-25(24)36(28)23-12-9-18(17-37)10-13-23;1-21(35)19-30-39(37,38)25-12-8-9-23(18-25)28(36)32-29-31-26-17-22(20-33-15-6-3-7-16-33)13-14-27(26)34(29)24-10-4-2-5-11-24;29-14-15-30-38(36,37)24-11-7-8-22(19-24)27(35)32-28-31-25-18-21(20-33-16-5-2-6-17-33)12-13-26(25)34(28)23-9-3-1-4-10-23;28-27(29,30)19-3-1-2-18(14-19)25(37)32-26-31-23-9-8-21(33-12-10-22(36)16-33)15-24(23)34(26)20-6-4-17(5-7-20)11-13-35;24-23(25,26)17-3-1-2-16(11-17)21(32)28-22-27-19-9-6-15(13-31)10-20(19)29(22)18-7-4-14(12-30)5-8-18/h1-8,11,14-16,18,23,37H,9-10,12-13,17H2,(H,33,38)(H,34,35,39);8-9,12-14,17-18,21,24,30,35H,2-7,10-11,15-16,19-20H2,1H3,(H,31,32,36);7-8,11-13,18-19,23,30H,1-6,9-10,14-17,20H2,(H,31,32,35);1-9,14-15,22,35-36H,10-13,16H2,(H,31,32,37);1-3,6,9-11,14,18,30-31H,4-5,7-8,12-13H2,(H,27,28,32)/t;;;22-;/m...1./s1.
What are the key properties of N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 2589.95 g/mol, XLogP of 24.68, 35 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-benzamido-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-fluoroethylsulfamoyl)benzamide;N-[1-cyclohexyl-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(2-hydroxypropylsulfamoyl)benzamide;N-[1-[4-(2-hydroxyethyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158800963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).