3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C91H87F10N17O17 — CID 159886207

IUPAC3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2[C@H](C)CCO.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CC(F)CO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@@H]1C[C@H]1CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H25F3N4O5.C23H21F3N4O4.C22H20F4N4O4.C22H21N5O4/c1-14(6-8-32)31-18-12-20(35-2)19(30-7-9-36-13-21(30)33)11-17(18)28-23(31)29-22(34)15-4-3-5-16(10-15)24(25,26)27;24-23(25,26)15-3-1-2-13(8-15)21(33)28-22-27-17-10-16(29-6-7-34-12-20(29)32)4-5-18(17)30(22)19-9-14(19)11-31;23-15(11-31)10-30-18-5-4-16(29-6-7-34-12-19(29)32)9-17(18)27-21(30)28-20(33)13-2-1-3-14(8-13)22(24,25)26;23-13-15-3-1-4-16(11-15)21(30)25-22-24-18-12-17(26-8-10-31-14-20(26)29)5-6-19(18)27(22)7-2-9-28/h3-5,10-12,14,32H,6-9,13H2,1-2H3,(H,28,29,34);1-5,8,10,14,19,31H,6-7,9,11-12H2,(H,27,28,33);1-5,8-9,15,31H,6-7,10-12H2,(H,27,28,33);1,3-6,11-12,28H,2,7-10,14H2,(H,24,25,30)/t14-;14-,19+;;/m10../s1
InChIKeyNUEBJLUAZUXFLJ-RLFALXAISA-N
MW1880.78 g/mol
LogP11.75
Rot. Bonds24

About 3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 159886207) has the molecular formula C91H87F10N17O17 and a molecular weight of 1880.78 g/mol. Its IUPAC name is 3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID159886207
Molecular FormulaC91H87F10N17O17
Molecular Weight1880.78 g/mol
Exact Mass1879.63
IUPAC Name3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2[C@H](C)CCO.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CC(F)CO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@@H]1C[C@H]1CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H25F3N4O5.C23H21F3N4O4.C22H20F4N4O4.C22H21N5O4/c1-14(6-8-32)31-18-12-20(35-2)19(30-7-9-36-13-21(30)33)11-17(18)28-23(31)29-22(34)15-4-3-5-16(10-15)24(25,26)27;24-23(25,26)15-3-1-2-13(8-15)21(33)28-22-27-17-10-16(29-6-7-34-12-20(29)32)4-5-18(17)30(22)19-9-14(19)11-31;23-15(11-31)10-30-18-5-4-16(29-6-7-34-12-19(29)32)9-17(18)27-21(30)28-20(33)13-2-1-3-14(8-13)22(24,25)26;23-13-15-3-1-4-16(11-15)21(30)25-22-24-18-12-17(26-8-10-31-14-20(26)29)5-6-19(18)27(22)7-2-9-28/h3-5,10-12,14,32H,6-9,13H2,1-2H3,(H,28,29,34);1-5,8,10,14,19,31H,6-7,9,11-12H2,(H,27,28,33);1-5,8-9,15,31H,6-7,10-12H2,(H,27,28,33);1,3-6,11-12,28H,2,7-10,14H2,(H,24,25,30)/t14-;14-,19+;;/m10../s1
InChIKeyNUEBJLUAZUXFLJ-RLFALXAISA-N
XLogP11.75
TPSA419.78 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001880.78
LogP ≤ 511.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688256
3-(difluoromethyl)-N-[1-(4-hydroxybutan-2-yl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688258
N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688282
N-[1-(4-hydroxybutan-2-yl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688283
N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688284
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide
CID 126688332
N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688366
N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688373
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688412
3-(difluoromethyl)-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 126688416
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)-6-propan-2-yloxybenzimidazol-2-yl]benzamide
CID 126688478
N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688527

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 159886207) is 3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is COc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2[C@H](C)CCO.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CC(F)CO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1[C@@H]1C[C@H]1CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is NUEBJLUAZUXFLJ-RLFALXAISA-N. The full InChI is InChI=1S/C24H25F3N4O5.C23H21F3N4O4.C22H20F4N4O4.C22H21N5O4/c1-14(6-8-32)31-18-12-20(35-2)19(30-7-9-36-13-21(30)33)11-17(18)28-23(31)29-22(34)15-4-3-5-16(10-15)24(25,26)27;24-23(25,26)15-3-1-2-13(8-15)21(33)28-22-27-17-10-16(29-6-7-34-12-20(29)32)4-5-18(17)30(22)19-9-14(19)11-31;23-15(11-31)10-30-18-5-4-16(29-6-7-34-12-19(29)32)9-17(18)27-21(30)28-20(33)13-2-1-3-14(8-13)22(24,25)26;23-13-15-3-1-4-16(11-15)21(30)25-22-24-18-12-17(26-8-10-31-14-20(26)29)5-6-19(18)27(22)7-2-9-28/h3-5,10-12,14,32H,6-9,13H2,1-2H3,(H,28,29,34);1-5,8,10,14,19,31H,6-7,9,11-12H2,(H,27,28,33);1-5,8-9,15,31H,6-7,10-12H2,(H,27,28,33);1,3-6,11-12,28H,2,7-10,14H2,(H,24,25,30)/t14-;14-,19+;;/m10../s1.
What are the key properties of 3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1880.78 g/mol, XLogP of 11.75, 24 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(2-fluoro-3-hydroxypropyl)-5-(3-oxomorpholin-4-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;N-[1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159886207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).