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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C81H85F9N12O9 — CID 158089491

IUPACN-[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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1.O=C(Nc1nc2cc(CN3CCCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(OCCN3CCCCC3)ccc2n1-c1ccc(O)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H27F3N4O3.C27H31F3N4O3.C26H27F3N4O3/c29-28(30,31)20-6-4-5-19(17-20)26(37)33-27-32-24-18-23(38-16-15-34-13-2-1-3-14-34)11-12-25(24)35(27)21-7-9-22(36)10-8-21;1-26(2,3)24(37)31-19-9-12-22-21(14-19)32-25(34(22)20-10-7-16(15-35)8-11-20)33-23(36)17-5-4-6-18(13-17)27(28,29)30;27-26(28,29)18-4-1-3-17(14-18)24(36)31-25-30-21-13-16(15-32-12-2-5-23(32)35)6-11-22(21)33(25)19-7-9-20(34)10-8-19/h4-12,17-18,36H,1-3,13-16H2,(H,32,33,37);4-6,9,12-14,16,20,35H,7-8,10-11,15H2,1-3H3,(H,31,37)(H,32,33,36);1,3-4,6,11,13-14,19-20,34H,2,5,7-10,12,15H2,(H,30,31,36)
InChIKeyFNXQGTFHCNDPCV-UHFFFAOYSA-N
MW1541.63 g/mol
LogP16.79
Rot. Bonds17

About 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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 158089491) has the molecular formula C81H85F9N12O9 and a molecular weight of 1541.63 g/mol. Its IUPAC name is 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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID158089491
Molecular FormulaC81H85F9N12O9
Molecular Weight1541.63 g/mol
Exact Mass1540.64
IUPAC NameN-[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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1.O=C(Nc1nc2cc(CN3CCCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(OCCN3CCCCC3)ccc2n1-c1ccc(O)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H27F3N4O3.C27H31F3N4O3.C26H27F3N4O3/c29-28(30,31)20-6-4-5-19(17-20)26(37)33-27-32-24-18-23(38-16-15-34-13-2-1-3-14-34)11-12-25(24)35(27)21-7-9-22(36)10-8-21;1-26(2,3)24(37)31-19-9-12-22-21(14-19)32-25(34(22)20-10-7-16(15-35)8-11-20)33-23(36)17-5-4-6-18(13-17)27(28,29)30;27-26(28,29)18-4-1-3-17(14-18)24(36)31-25-30-21-13-16(15-32-12-2-5-23(32)35)6-11-22(21)33(25)19-7-9-20(34)10-8-19/h4-12,17-18,36H,1-3,13-16H2,(H,32,33,37);4-6,9,12-14,16,20,35H,7-8,10-11,15H2,1-3H3,(H,31,37)(H,32,33,36);1,3-4,6,11,13-14,19-20,34H,2,5,7-10,12,15H2,(H,30,31,36)
InChIKeyFNXQGTFHCNDPCV-UHFFFAOYSA-N
XLogP16.79
TPSA263.33 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001541.63
LogP ≤ 516.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[1-(4-hydroxycyclohexyl)-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10230196
3-[[2-[2-[4-(Trifluoromethoxy)anilino]-1-(3,3,5-trimethylcyclohexyl)benzimidazol-5-yl]oxyacetyl]amino]benzoic acid
CID 123278377
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)-6-propan-2-yloxybenzimidazol-2-yl]benzamide
CID 126688478
3-[[2-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]oxyacetyl]amino]benzoic acid
CID 139419738
N-[1-(4-hydroxycyclohexyl)-5-(2-morpholin-4-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(4-hydroxycyclohexyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[7-hydroxy-1-(4-hydroxycyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 157317973
N-[1-(2-fluoro-3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-[1-hydroxy-2-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]ethenyl]benzonitrile;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 157482803
1-[4-[6-(4-Hydroxyphenoxy)-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]-2-methylphenyl]butan-1-one;1-[2-methyl-4-[6-(4-phenylmethoxyphenoxy)-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]phenyl]butan-1-one
CID 157921519
bis(3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1,4,4-trimethyl-5-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide);N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(4-methyl-3-oxomorpholin-2-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 158306561
N-(1-tert-butyl-7-cyano-5-fluorobenzimidazol-2-yl)-3,3-dimethylbutanamide;N-(1-tert-butyl-6-isocyanobenzimidazol-2-yl)-3-cyclopropyl-3-methylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-7-fluoro-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 158308836
N-[6-cyclopropyl-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide;N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxo-1,4-diazabicyclo[3.2.2]nonan-4-yl)benzimidazol-2-yl]benzamide;N-[7-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 158355303
N-[7-acetyl-6-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide;N-(1-tert-butyl-4-fluoro-6-isocyanobenzimidazol-2-yl)-4-fluoro-3,3-dimethylpentanamide;N-[1-cyclobutyl-5,7-difluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[1-cyclobutyl-6-(difluoromethoxy)-5-fluorobenzimidazol-2-yl]-3-cyclopropyl-3-methylbutanamide;(2S)-N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide;N-[6-isocyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 158376135
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

Frequently Asked Questions

What is the IUPAC name of 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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 158089491) is 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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC(C)(C)C(=O)Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1.O=C(Nc1nc2cc(CN3CCCC3=O)ccc2n1C1CCC(O)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(OCCN3CCCCC3)ccc2n1-c1ccc(O)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is FNXQGTFHCNDPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O3.C27H31F3N4O3.C26H27F3N4O3/c29-28(30,31)20-6-4-5-19(17-20)26(37)33-27-32-24-18-23(38-16-15-34-13-2-1-3-14-34)11-12-25(24)35(27)21-7-9-22(36)10-8-21;1-26(2,3)24(37)31-19-9-12-22-21(14-19)32-25(34(22)20-10-7-16(15-35)8-11-20)33-23(36)17-5-4-6-18(13-17)27(28,29)30;27-26(28,29)18-4-1-3-17(14-18)24(36)31-25-30-21-13-16(15-32-12-2-5-23(32)35)6-11-22(21)33(25)19-7-9-20(34)10-8-19/h4-12,17-18,36H,1-3,13-16H2,(H,32,33,37);4-6,9,12-14,16,20,35H,7-8,10-11,15H2,1-3H3,(H,31,37)(H,32,33,36);1,3-4,6,11,13-14,19-20,34H,2,5,7-10,12,15H2,(H,30,31,36).
What are the key properties of 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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1541.63 g/mol, XLogP of 16.79, 17 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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-hydroxyphenyl)-5-(2-piperidin-1-ylethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158089491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).