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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C97H101F8N17O18 — CID 159103545

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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-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.COc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2[C@H](C)CCO.C[C@H](CCO)n1c(NC(=O)c2cccc(C#N)c2)nc2cc(N3CCCOC3=O)ccc21.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1(CO)CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H27F3N4O4.C24H25F3N4O5.C24H26F2N4O5.C23H23N5O4/c27-26(28,29)18-6-4-5-17(13-18)23(36)31-24-30-20-14-19(32-11-12-37-15-22(32)35)7-8-21(20)33(24)25(16-34)9-2-1-3-10-25;1-14(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(6-8-31)30-18-12-20(34-2)19(29-7-9-35-13-21(29)32)11-17(18)27-24(30)28-23(33)16-5-3-4-15(10-16)22(25)26;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/h4-8,13-14,34H,1-3,9-12,15-16H2,(H,30,31,36);3-5,10-12,14,32H,6-9,13H2,1-2H3,(H,28,29,34);3-5,10-12,14,22,31H,6-9,13H2,1-2H3,(H,27,28,33);2,4-7,12-13,15,29H,3,8-11H2,1H3,(H,25,26,30)/t;2*14-;15-/m.111/s1
InChIKeyKDOZIRVWWTWQLK-ZXKGJYHCSA-N
MW1944.96 g/mol
LogP14.94
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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 159103545) has the molecular formula C97H101F8N17O18 and a molecular weight of 1944.96 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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID159103545
Molecular FormulaC97H101F8N17O18
Molecular Weight1944.96 g/mol
Exact Mass1943.74
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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-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.COc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2[C@H](C)CCO.C[C@H](CCO)n1c(NC(=O)c2cccc(C#N)c2)nc2cc(N3CCCOC3=O)ccc21.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1(CO)CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H27F3N4O4.C24H25F3N4O5.C24H26F2N4O5.C23H23N5O4/c27-26(28,29)18-6-4-5-17(13-18)23(36)31-24-30-20-14-19(32-11-12-37-15-22(32)35)7-8-21(20)33(24)25(16-34)9-2-1-3-10-25;1-14(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(6-8-31)30-18-12-20(34-2)19(29-7-9-35-13-21(29)32)11-17(18)27-24(30)28-23(33)16-5-3-4-15(10-16)22(25)26;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/h4-8,13-14,34H,1-3,9-12,15-16H2,(H,30,31,36);3-5,10-12,14,32H,6-9,13H2,1-2H3,(H,28,29,34);3-5,10-12,14,22,31H,6-9,13H2,1-2H3,(H,27,28,33);2,4-7,12-13,15,29H,3,8-11H2,1H3,(H,25,26,30)/t;2*14-;15-/m.111/s1
InChIKeyKDOZIRVWWTWQLK-ZXKGJYHCSA-N
XLogP14.94
TPSA429.01 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001944.96
LogP ≤ 514.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-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-(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
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
N-[6-(difluoromethoxy)-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688527
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)-6-(trideuteriomethoxy)benzimidazol-2-yl]benzamide
CID 126688584

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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 159103545) 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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-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.COc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2[C@H](C)CCO.C[C@H](CCO)n1c(NC(=O)c2cccc(C#N)c2)nc2cc(N3CCCOC3=O)ccc21.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1C1(CO)CCCCC1)c1cccc(C(F)(F)F)c1.
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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is KDOZIRVWWTWQLK-ZXKGJYHCSA-N. The full InChI is InChI=1S/C26H27F3N4O4.C24H25F3N4O5.C24H26F2N4O5.C23H23N5O4/c27-26(28,29)18-6-4-5-17(13-18)23(36)31-24-30-20-14-19(32-11-12-37-15-22(32)35)7-8-21(20)33(24)25(16-34)9-2-1-3-10-25;1-14(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(6-8-31)30-18-12-20(34-2)19(29-7-9-35-13-21(29)32)11-17(18)27-24(30)28-23(33)16-5-3-4-15(10-16)22(25)26;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/h4-8,13-14,34H,1-3,9-12,15-16H2,(H,30,31,36);3-5,10-12,14,32H,6-9,13H2,1-2H3,(H,28,29,34);3-5,10-12,14,22,31H,6-9,13H2,1-2H3,(H,27,28,33);2,4-7,12-13,15,29H,3,8-11H2,1H3,(H,25,26,30)/t;2*14-;15-/m.111/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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1944.96 g/mol, XLogP of 14.94, 26 rotatable bonds, 8 hydrogen bond donors, and 27 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]-6-methoxy-5-(3-oxomorpholin-4-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-[1-(hydroxymethyl)cyclohexyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159103545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).