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

C81H85F6N13O9S — CID 160741373

IUPACN-[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
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.O=C(Nc1nc2ccc(N3CC[C@@H](O)C3)cc2n1-c1ccc(CCO)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/2C27H25F3N4O3.C27H35N5O3S/c2*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;1-28-36(34,35)23-12-8-9-21(18-23)26(33)30-27-29-24-17-20(19-31-15-6-3-7-16-31)13-14-25(24)32(27)22-10-4-2-5-11-22/h2*1-9,14-15,22,35-36H,10-13,16H2,(H,31,32,37);8-9,12-14,17-18,22,28H,2-7,10-11,15-16,19H2,1H3,(H,29,30,33)/t2*22-;/m10./s1
InChIKeyRVQARFNGDGPDIM-UNDSNRBDSA-N
MW1530.71 g/mol
LogP13.49
Rot. Bonds19

About 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

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 (PubChem CID 160741373) has the molecular formula C81H85F6N13O9S and a molecular weight of 1530.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID160741373
Molecular FormulaC81H85F6N13O9S
Molecular Weight1530.71 g/mol
Exact Mass1529.62
IUPAC NameN-[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
SMILESCNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.O=C(Nc1nc2ccc(N3CC[C@@H](O)C3)cc2n1-c1ccc(CCO)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/2C27H25F3N4O3.C27H35N5O3S/c2*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;1-28-36(34,35)23-12-8-9-21(18-23)26(33)30-27-29-24-17-20(19-31-15-6-3-7-16-31)13-14-25(24)32(27)22-10-4-2-5-11-22/h2*1-9,14-15,22,35-36H,10-13,16H2,(H,31,32,37);8-9,12-14,17-18,22,28H,2-7,10-11,15-16,19H2,1H3,(H,29,30,33)/t2*22-;/m10./s1
InChIKeyRVQARFNGDGPDIM-UNDSNRBDSA-N
XLogP13.49
TPSA277.57 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001530.71
LogP ≤ 513.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze 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 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-[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-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
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
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 159708026
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
3-(difluoromethyl)-N-[5-(3,3-dimethyl-2-oxopiperidin-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(dimethylsulfamoyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-benzimidazole-5-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-sulfamoylbenzamide
CID 159503053
3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 160401625
3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 161387990

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNS(=O)(=O)c1cccc(C(=O)Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c1.O=C(Nc1nc2ccc(N3CC[C@@H](O)C3)cc2n1-c1ccc(CCO)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-[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?
The InChIKey is RVQARFNGDGPDIM-UNDSNRBDSA-N. The full InChI is InChI=1S/2C27H25F3N4O3.C27H35N5O3S/c2*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;1-28-36(34,35)23-12-8-9-21(18-23)26(33)30-27-29-24-17-20(19-31-15-6-3-7-16-31)13-14-25(24)32(27)22-10-4-2-5-11-22/h2*1-9,14-15,22,35-36H,10-13,16H2,(H,31,32,37);8-9,12-14,17-18,22,28H,2-7,10-11,15-16,19H2,1H3,(H,29,30,33)/t2*22-;/m10./s1.
What are the key properties of 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?
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 has a molecular weight of 1530.71 g/mol, XLogP of 13.49, 19 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160741373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).