3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C94H98F10N16O14 — CID 157204950

IUPAC3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC1(C)OCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CC1(C)OCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C1=O.O=C(Nc1nc2cc(N3CCCCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCCC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1
InChIInChI=1S/C24H25F3N4O4.C24H26F2N4O4.C23H23F3N4O3.C23H24F2N4O3/c1-23(2)21(34)30(10-12-35-23)17-7-8-19-18(14-17)28-22(31(19)9-4-11-32)29-20(33)15-5-3-6-16(13-15)24(25,26)27;1-24(2)22(33)29(10-12-34-24)17-7-8-19-18(14-17)27-23(30(19)9-4-11-31)28-21(32)16-6-3-5-15(13-16)20(25)26;24-23(25,26)16-6-3-5-15(13-16)21(33)28-22-27-18-14-17(29-10-2-1-7-20(29)32)8-9-19(18)30(22)11-4-12-31;24-21(25)15-5-3-6-16(13-15)22(32)27-23-26-18-14-17(28-10-2-1-7-20(28)31)8-9-19(18)29(23)11-4-12-30/h3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33);3,5-8,13-14,20,31H,4,9-12H2,1-2H3,(H,27,28,32);3,5-6,8-9,13-14,31H,1-2,4,7,10-12H2,(H,27,28,33);3,5-6,8-9,13-14,21,30H,1-2,4,7,10-12H2,(H,26,27,32)
InChIKeyARFYEDSKIFLJMN-UHFFFAOYSA-N
MW1865.90 g/mol
LogP15.91
Rot. Bonds26

About 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 157204950) has the molecular formula C94H98F10N16O14 and a molecular weight of 1865.90 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID157204950
Molecular FormulaC94H98F10N16O14
Molecular Weight1865.90 g/mol
Exact Mass1864.73
IUPAC Name3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC1(C)OCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CC1(C)OCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C1=O.O=C(Nc1nc2cc(N3CCCCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCCC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1
InChIInChI=1S/C24H25F3N4O4.C24H26F2N4O4.C23H23F3N4O3.C23H24F2N4O3/c1-23(2)21(34)30(10-12-35-23)17-7-8-19-18(14-17)28-22(31(19)9-4-11-32)29-20(33)15-5-3-6-16(13-15)24(25,26)27;1-24(2)22(33)29(10-12-34-24)17-7-8-19-18(14-17)27-23(30(19)9-4-11-31)28-21(32)16-6-3-5-15(13-16)20(25)26;24-23(25,26)16-6-3-5-15(13-16)21(33)28-22-27-18-14-17(29-10-2-1-7-20(29)32)8-9-19(18)30(22)11-4-12-31;24-21(25)15-5-3-6-16(13-15)22(32)27-23-26-18-14-17(28-10-2-1-7-20(28)31)8-9-19(18)29(23)11-4-12-30/h3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33);3,5-8,13-14,20,31H,4,9-12H2,1-2H3,(H,27,28,32);3,5-6,8-9,13-14,31H,1-2,4,7,10-12H2,(H,27,28,33);3,5-6,8-9,13-14,21,30H,1-2,4,7,10-12H2,(H,26,27,32)
InChIKeyARFYEDSKIFLJMN-UHFFFAOYSA-N
XLogP15.91
TPSA368.30 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001865.90
LogP ≤ 515.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide 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-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide
CID 126688243
3-[1-(difluoromethyl)-2-oxopyridin-4-yl]-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688247
3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688261
3-(difluoromethyl)-N-[1-[(2S)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688270
3-(difluoromethyl)-N-[1-(4-hydroxybutan-2-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688272
3-(difluoromethyl)-N-[1-(1-hydroxypentan-3-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688277
3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688288
N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688290
N-[6-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688291
3-(fluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688297
3-fluoro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-5-(trifluoromethyl)benzamide
CID 126688301

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 157204950) is 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CC1(C)OCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)(F)F)c2)n3CCCO)C1=O.CC1(C)OCCN(c2ccc3c(c2)nc(NC(=O)c2cccc(C(F)F)c2)n3CCCO)C1=O.O=C(Nc1nc2cc(N3CCCCC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCCCC3=O)ccc2n1CCCO)c1cccc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is ARFYEDSKIFLJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4.C24H26F2N4O4.C23H23F3N4O3.C23H24F2N4O3/c1-23(2)21(34)30(10-12-35-23)17-7-8-19-18(14-17)28-22(31(19)9-4-11-32)29-20(33)15-5-3-6-16(13-15)24(25,26)27;1-24(2)22(33)29(10-12-34-24)17-7-8-19-18(14-17)27-23(30(19)9-4-11-31)28-21(32)16-6-3-5-15(13-16)20(25)26;24-23(25,26)16-6-3-5-15(13-16)21(33)28-22-27-18-14-17(29-10-2-1-7-20(29)32)8-9-19(18)30(22)11-4-12-31;24-21(25)15-5-3-6-16(13-15)22(32)27-23-26-18-14-17(28-10-2-1-7-20(28)31)8-9-19(18)29(23)11-4-12-30/h3,5-8,13-14,32H,4,9-12H2,1-2H3,(H,28,29,33);3,5-8,13-14,20,31H,4,9-12H2,1-2H3,(H,27,28,32);3,5-6,8-9,13-14,31H,1-2,4,7,10-12H2,(H,27,28,33);3,5-6,8-9,13-14,21,30H,1-2,4,7,10-12H2,(H,26,27,32).
What are the key properties of 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1865.90 g/mol, XLogP of 15.91, 26 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]benzamide;N-[5-(2,2-dimethyl-3-oxomorpholin-4-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxopiperidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157204950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).