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

C95H99F12N15O13 — CID 162209289

IUPACN-[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
SMILESCC(=O)N1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1.CC(=O)N1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)CC1.CC(=O)N1CCCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1.O=C(Nc1nc2cc(C3(O)COC3)ccc2n1CCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/2C25H27F3N4O3.C24H25F3N4O3.C21H20F3N3O4/c1-16(34)31-10-3-6-19(15-31)17-8-9-22-21(14-17)29-24(32(22)11-4-12-33)30-23(35)18-5-2-7-20(13-18)25(26,27)28;1-16(34)31-11-8-17(9-12-31)18-6-7-22-21(15-18)29-24(32(22)10-3-13-33)30-23(35)19-4-2-5-20(14-19)25(26,27)28;1-15(33)30-10-8-18(14-30)16-6-7-21-20(13-16)28-23(31(21)9-3-11-32)29-22(34)17-4-2-5-19(12-17)24(25,26)27;22-21(23,24)15-4-1-3-13(9-15)18(29)26-19-25-16-10-14(20(30)11-31-12-20)5-6-17(16)27(19)7-2-8-28/h2,5,7-9,13-14,19,33H,3-4,6,10-12,15H2,1H3,(H,29,30,35);2,4-7,14-15,17,33H,3,8-13H2,1H3,(H,29,30,35);2,4-7,12-13,18,32H,3,8-11,14H2,1H3,(H,28,29,34);1,3-6,9-10,28,30H,2,7-8,11-12H2,(H,25,26,29)
InChIKeyZSPXTKXQPCEBMJ-UHFFFAOYSA-N
MW1886.90 g/mol
LogP15.76
Rot. Bonds24

About 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

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 (PubChem CID 162209289) has the molecular formula C95H99F12N15O13 and a molecular weight of 1886.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID162209289
Molecular FormulaC95H99F12N15O13
Molecular Weight1886.90 g/mol
Exact Mass1885.74
IUPAC NameN-[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
SMILESCC(=O)N1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1.CC(=O)N1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)CC1.CC(=O)N1CCCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1.O=C(Nc1nc2cc(C3(O)COC3)ccc2n1CCCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/2C25H27F3N4O3.C24H25F3N4O3.C21H20F3N3O4/c1-16(34)31-10-3-6-19(15-31)17-8-9-22-21(14-17)29-24(32(22)11-4-12-33)30-23(35)18-5-2-7-20(13-18)25(26,27)28;1-16(34)31-11-8-17(9-12-31)18-6-7-22-21(15-18)29-24(32(22)10-3-13-33)30-23(35)19-4-2-5-20(14-19)25(26,27)28;1-15(33)30-10-8-18(14-30)16-6-7-21-20(13-16)28-23(31(21)9-3-11-32)29-22(34)17-4-2-5-19(12-17)24(25,26)27;22-21(23,24)15-4-1-3-13(9-15)18(29)26-19-25-16-10-14(20(30)11-31-12-20)5-6-17(16)27(19)7-2-8-28/h2,5,7-9,13-14,19,33H,3-4,6,10-12,15H2,1H3,(H,29,30,35);2,4-7,14-15,17,33H,3,8-13H2,1H3,(H,29,30,35);2,4-7,12-13,18,32H,3,8-11,14H2,1H3,(H,28,29,34);1,3-6,9-10,28,30H,2,7-8,11-12H2,(H,25,26,29)
InChIKeyZSPXTKXQPCEBMJ-UHFFFAOYSA-N
XLogP15.76
TPSA358.99 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001886.90
LogP ≤ 515.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Related Compounds

N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanamide;[6-[2-(cyclobutylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 87760548
1-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-3-[6-[2-(cyclobutylmethyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]urea
CID 87760549
4-[[[5-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamoyl-ethylamino]-[5-[1-hydroxy-3-oxo-2-[(1R)-1-phenylethyl]isoindol-1-yl]-1H-benzimidazol-2-yl]carbamoyl]oxybut-2-ynyl-[5-[1-hydroxy-3-oxo-2-[3-(trifluoromethyl)phenyl]isoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 87761643
N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide;[6-[2-(3-carbamoylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 87761956
3-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide;[6-[1-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 87775759
2-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide;[6-[1-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 87775765
N-[5-(3-hydroxyoxetan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126689346
[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-[6-[1-hydroxy-2-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamic acid
CID 135350258
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-[5-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-but-3-enyl-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 157112631
Ethyl 4-[2-amino-5-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate;ethyl 4-[5-(piperidin-1-ylmethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]cyclohexane-1-carboxylate;3-(trifluoromethyl)benzoic acid
CID 157322286
3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3S)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-(2-oxocyclohexyl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(6-oxocyclohexa-1,3-dien-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 157322828

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1.CC(=O)N1CCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)CC1.CC(=O)N1CCCC(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1.O=C(Nc1nc2cc(C3(O)COC3)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 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?
The InChIKey is ZSPXTKXQPCEBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H27F3N4O3.C24H25F3N4O3.C21H20F3N3O4/c1-16(34)31-10-3-6-19(15-31)17-8-9-22-21(14-17)29-24(32(22)11-4-12-33)30-23(35)18-5-2-7-20(13-18)25(26,27)28;1-16(34)31-11-8-17(9-12-31)18-6-7-22-21(15-18)29-24(32(22)10-3-13-33)30-23(35)19-4-2-5-20(14-19)25(26,27)28;1-15(33)30-10-8-18(14-30)16-6-7-21-20(13-16)28-23(31(21)9-3-11-32)29-22(34)17-4-2-5-19(12-17)24(25,26)27;22-21(23,24)15-4-1-3-13(9-15)18(29)26-19-25-16-10-14(20(30)11-31-12-20)5-6-17(16)27(19)7-2-8-28/h2,5,7-9,13-14,19,33H,3-4,6,10-12,15H2,1H3,(H,29,30,35);2,4-7,14-15,17,33H,3,8-13H2,1H3,(H,29,30,35);2,4-7,12-13,18,32H,3,8-11,14H2,1H3,(H,28,29,34);1,3-6,9-10,28,30H,2,7-8,11-12H2,(H,25,26,29).
What are the key properties of 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?
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 has a molecular weight of 1886.90 g/mol, XLogP of 15.76, 24 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162209289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).