3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C93H95F8N17O17 — CID 159015106

IUPAC3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2[C@H](C)CCO.C[C@H](CCO)n1c(NC(=O)c2cccc(C#N)c2)nc2cc(N3CCCOC3=O)ccc21.C[C@H](CCO)n1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.C[C@H](CCO)n1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCCOC3=O)ccc21
InChIInChI=1S/C24H25F3N4O5.C23H23F3N4O4.C23H24F2N4O4.C23H23N5O4/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;1-14(8-10-31)30-19-7-6-17(29-9-3-11-34-22(29)33)13-18(19)27-21(30)28-20(32)15-4-2-5-16(12-15)23(24,25)26;1-14(8-10-30)29-19-7-6-17(28-9-3-11-33-23(28)32)13-18(19)26-22(29)27-21(31)16-5-2-4-15(12-16)20(24)25;1-15(8-10-29)28-20-7-6-18(27-9-3-11-32-23(27)31)13-19(20)25-22(28)26-21(30)17-5-2-4-16(12-17)14-24/h3-5,10-12,14,32H,6-9,13H2,1-2H3,(H,28,29,34);2,4-7,12-14,31H,3,8-11H2,1H3,(H,27,28,32);2,4-7,12-14,20,30H,3,8-11H2,1H3,(H,26,27,31);2,4-7,12-13,15,29H,3,8-11H2,1H3,(H,25,26,30)/t3*14-;15-/m1111/s1
InChIKeyJSZIXQLMFHLDGY-GUBIZZQZSA-N
MW1874.87 g/mol
LogP16.19
Rot. Bonds26

About 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 159015106) has the molecular formula C93H95F8N17O17 and a molecular weight of 1874.87 g/mol. Its IUPAC name is 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID159015106
Molecular FormulaC93H95F8N17O17
Molecular Weight1874.87 g/mol
Exact Mass1873.70
IUPAC Name3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2[C@H](C)CCO.C[C@H](CCO)n1c(NC(=O)c2cccc(C#N)c2)nc2cc(N3CCCOC3=O)ccc21.C[C@H](CCO)n1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.C[C@H](CCO)n1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCCOC3=O)ccc21
InChIInChI=1S/C24H25F3N4O5.C23H23F3N4O4.C23H24F2N4O4.C23H23N5O4/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;1-14(8-10-31)30-19-7-6-17(29-9-3-11-34-22(29)33)13-18(19)27-21(30)28-20(32)15-4-2-5-16(12-15)23(24,25)26;1-14(8-10-30)29-19-7-6-17(28-9-3-11-33-23(28)32)13-18(19)26-22(29)27-21(31)16-5-2-4-15(12-16)20(24)25;1-15(8-10-29)28-20-7-6-18(27-9-3-11-32-23(27)31)13-19(20)25-22(28)26-21(30)17-5-2-4-16(12-17)14-24/h3-5,10-12,14,32H,6-9,13H2,1-2H3,(H,28,29,34);2,4-7,12-14,31H,3,8-11H2,1H3,(H,27,28,32);2,4-7,12-14,20,30H,3,8-11H2,1H3,(H,26,27,31);2,4-7,12-13,15,29H,3,8-11H2,1H3,(H,25,26,30)/t3*14-;15-/m1111/s1
InChIKeyJSZIXQLMFHLDGY-GUBIZZQZSA-N
XLogP16.19
TPSA419.78 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001874.87
LogP ≤ 516.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-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-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688275
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-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide
CID 126688377
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

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 159015106) is 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-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.C[C@H](CCO)n1c(NC(=O)c2cccc(C#N)c2)nc2cc(N3CCCOC3=O)ccc21.C[C@H](CCO)n1c(NC(=O)c2cccc(C(F)(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.C[C@H](CCO)n1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCCOC3=O)ccc21.
What is the InChIKey of 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is JSZIXQLMFHLDGY-GUBIZZQZSA-N. The full InChI is InChI=1S/C24H25F3N4O5.C23H23F3N4O4.C23H24F2N4O4.C23H23N5O4/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;1-14(8-10-31)30-19-7-6-17(29-9-3-11-34-22(29)33)13-18(19)27-21(30)28-20(32)15-4-2-5-16(12-15)23(24,25)26;1-14(8-10-30)29-19-7-6-17(28-9-3-11-33-23(28)32)13-18(19)26-22(29)27-21(31)16-5-2-4-15(12-16)20(24)25;1-15(8-10-29)28-20-7-6-18(27-9-3-11-32-23(27)31)13-19(20)25-22(28)26-21(30)17-5-2-4-16(12-17)14-24/h3-5,10-12,14,32H,6-9,13H2,1-2H3,(H,28,29,34);2,4-7,12-14,31H,3,8-11H2,1H3,(H,27,28,32);2,4-7,12-14,20,30H,3,8-11H2,1H3,(H,26,27,31);2,4-7,12-13,15,29H,3,8-11H2,1H3,(H,25,26,30)/t3*14-;15-/m1111/s1.
What are the key properties of 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1874.87 g/mol, XLogP of 16.19, 26 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159015106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).