N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride

C103H110Cl2F10N20O15 — CID 158747780

IUPACN-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride
SMILESCC(=O)N1CCC(n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(N4CCOCC4=O)ccc32)CC1.CC(C)(C)OC(=O)N1CCC(n2c(NC(=O)c3cccc(C(F)F)c3)nc3cc(N4CCOCC4=O)ccc32)CC1.Cl.Cl.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)F)c1
InChIInChI=1S/C29H33F2N5O5.C26H26F3N5O4.C24H24F3N5O3.C24H25F2N5O3.2ClH/c1-29(2,3)41-28(39)34-11-9-20(10-12-34)36-23-8-7-21(35-13-14-40-17-24(35)37)16-22(23)32-27(36)33-26(38)19-6-4-5-18(15-19)25(30)31;1-16(35)32-9-7-19(8-10-32)34-22-6-5-20(33-11-12-38-15-23(33)36)14-21(22)30-25(34)31-24(37)17-3-2-4-18(13-17)26(27,28)29;25-24(26,27)16-3-1-2-15(12-16)22(34)30-23-29-19-13-18(31-10-11-35-14-21(31)33)4-5-20(19)32(23)17-6-8-28-9-7-17;25-22(26)15-2-1-3-16(12-15)23(33)29-24-28-19-13-18(30-10-11-34-14-21(30)32)4-5-20(19)31(24)17-6-8-27-9-7-17;;/h4-8,15-16,20,25H,9-14,17H2,1-3H3,(H,32,33,38);2-6,13-14,19H,7-12,15H2,1H3,(H,30,31,37);1-5,12-13,17,28H,6-11,14H2,(H,29,30,34);1-5,12-13,17,22,27H,6-11,14H2,(H,28,29,33);2*1H
InChIKeyUUPBTXLJENIEJS-UHFFFAOYSA-N
MW2129.02 g/mol
LogP16.97
Rot. Bonds18

About N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride

N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride (PubChem CID 158747780) has the molecular formula C103H110Cl2F10N20O15 and a molecular weight of 2129.02 g/mol. Its IUPAC name is N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride
PubChem CID158747780
Molecular FormulaC103H110Cl2F10N20O15
Molecular Weight2129.02 g/mol
Exact Mass2126.77
IUPAC NameN-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride
SMILESCC(=O)N1CCC(n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(N4CCOCC4=O)ccc32)CC1.CC(C)(C)OC(=O)N1CCC(n2c(NC(=O)c3cccc(C(F)F)c3)nc3cc(N4CCOCC4=O)ccc32)CC1.Cl.Cl.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)F)c1
InChIInChI=1S/C29H33F2N5O5.C26H26F3N5O4.C24H24F3N5O3.C24H25F2N5O3.2ClH/c1-29(2,3)41-28(39)34-11-9-20(10-12-34)36-23-8-7-21(35-13-14-40-17-24(35)37)16-22(23)32-27(36)33-26(38)19-6-4-5-18(15-19)25(30)31;1-16(35)32-9-7-19(8-10-32)34-22-6-5-20(33-11-12-38-15-23(33)36)14-21(22)30-25(34)31-24(37)17-3-2-4-18(13-17)26(27,28)29;25-24(26,27)16-3-1-2-15(12-16)22(34)30-23-29-19-13-18(31-10-11-35-14-21(31)33)4-5-20(19)32(23)17-6-8-28-9-7-17;25-22(26)15-2-1-3-16(12-15)23(33)29-24-28-19-13-18(30-10-11-34-14-21(30)32)4-5-20(19)31(24)17-6-8-27-9-7-17;;/h4-8,15-16,20,25H,9-14,17H2,1-3H3,(H,32,33,38);2-6,13-14,19H,7-12,15H2,1H3,(H,30,31,37);1-5,12-13,17,28H,6-11,14H2,(H,29,30,34);1-5,12-13,17,22,27H,6-11,14H2,(H,28,29,33);2*1H
InChIKeyUUPBTXLJENIEJS-UHFFFAOYSA-N
XLogP16.97
TPSA379.75 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002129.02
LogP ≤ 516.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride with MolForge

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Related Compounds

N-[4-methyl-3-[[1-(6-morpholin-4-ylpyrimidin-4-yl)benzimidazol-2-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 87761922
3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;hydrochloride
CID 126688335
3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide
CID 126688336
N-ethyl-4-[5-(3-oxomorpholin-4-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]piperidine-1-carboxamide
CID 126688382
Tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate
CID 126688391
N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688424
Tert-butyl 4-[5-(3-oxomorpholin-4-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]piperidine-1-carboxylate
CID 126688440
N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide
CID 126688580
N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 126688591
N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688592
4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]-N-ethylpiperidine-1-carboxamide
CID 126688619
N-[1-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126709967

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride?
The IUPAC name of N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride (CID 158747780) is N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride.
What is the SMILES notation for N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride?
The canonical SMILES for N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride is CC(=O)N1CCC(n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(N4CCOCC4=O)ccc32)CC1.CC(C)(C)OC(=O)N1CCC(n2c(NC(=O)c3cccc(C(F)F)c3)nc3cc(N4CCOCC4=O)ccc32)CC1.Cl.Cl.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1CCNCC1)c1cccc(C(F)F)c1.
What is the InChIKey of N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride?
The InChIKey is UUPBTXLJENIEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N5O5.C26H26F3N5O4.C24H24F3N5O3.C24H25F2N5O3.2ClH/c1-29(2,3)41-28(39)34-11-9-20(10-12-34)36-23-8-7-21(35-13-14-40-17-24(35)37)16-22(23)32-27(36)33-26(38)19-6-4-5-18(15-19)25(30)31;1-16(35)32-9-7-19(8-10-32)34-22-6-5-20(33-11-12-38-15-23(33)36)14-21(22)30-25(34)31-24(37)17-3-2-4-18(13-17)26(27,28)29;25-24(26,27)16-3-1-2-15(12-16)22(34)30-23-29-19-13-18(31-10-11-35-14-21(31)33)4-5-20(19)32(23)17-6-8-28-9-7-17;25-22(26)15-2-1-3-16(12-15)23(33)29-24-28-19-13-18(30-10-11-34-14-21(30)32)4-5-20(19)31(24)17-6-8-27-9-7-17;;/h4-8,15-16,20,25H,9-14,17H2,1-3H3,(H,32,33,38);2-6,13-14,19H,7-12,15H2,1H3,(H,30,31,37);1-5,12-13,17,28H,6-11,14H2,(H,29,30,34);1-5,12-13,17,22,27H,6-11,14H2,(H,28,29,33);2*1H.
What are the key properties of N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride?
N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride has a molecular weight of 2129.02 g/mol, XLogP of 16.97, 18 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-acetylpiperidin-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;tert-butyl 4-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(3-oxomorpholin-4-yl)benzimidazol-1-yl]piperidine-1-carboxylate;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]benzamide;N-[5-(3-oxomorpholin-4-yl)-1-piperidin-4-ylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;dihydrochloride is sourced from PubChem (CID 158747780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).