3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide

C94H95F3N18O16S — CID 157242205

IUPAC3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide
SMILESCC(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.CCC[C@@H](C)n1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCCOC4=O)ccc3n2CC2(F)CCOCC2)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2scnc2c1
InChIInChI=1S/C25H24FN5O4.C24H26F2N4O3.C23H24N4O5.C22H21N5O4S/c26-25(7-11-34-12-8-25)16-31-21-6-5-19(30-9-2-10-35-24(30)33)14-20(21)28-23(31)29-22(32)18-4-1-3-17(13-18)15-27;1-3-5-15(2)30-20-9-8-18(29-10-11-33-14-21(29)31)13-19(20)27-24(30)28-23(32)17-7-4-6-16(12-17)22(25)26;1-15(29)16-4-2-5-17(12-16)22(31)25-23-24-19-13-18(26-9-11-32-14-21(26)30)6-7-20(19)27(23)8-3-10-28;28-8-1-6-27-18-4-3-15(26-7-9-31-12-20(26)29)11-16(18)24-22(27)25-21(30)14-2-5-19-17(10-14)23-13-32-19/h1,3-6,13-14H,2,7-12,16H2,(H,28,29,32);4,6-9,12-13,15,22H,3,5,10-11,14H2,1-2H3,(H,27,28,32);2,4-7,12-13,28H,3,8-11,14H2,1H3,(H,24,25,31);2-5,10-11,13,28H,1,6-9,12H2,(H,24,25,30)/t;15-;;/m.1../s1
InChIKeyAVINSFOHMWSMTD-FTBZCSGFSA-N
MW1821.96 g/mol
LogP13.86
Rot. Bonds25

About 3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide

3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide (PubChem CID 157242205) has the molecular formula C94H95F3N18O16S and a molecular weight of 1821.96 g/mol. Its IUPAC name is 3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide
PubChem CID157242205
Molecular FormulaC94H95F3N18O16S
Molecular Weight1821.96 g/mol
Exact Mass1820.68
IUPAC Name3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide
SMILESCC(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.CCC[C@@H](C)n1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCCOC4=O)ccc3n2CC2(F)CCOCC2)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2scnc2c1
InChIInChI=1S/C25H24FN5O4.C24H26F2N4O3.C23H24N4O5.C22H21N5O4S/c26-25(7-11-34-12-8-25)16-31-21-6-5-19(30-9-2-10-35-24(30)33)14-20(21)28-23(31)29-22(32)18-4-1-3-17(13-18)15-27;1-3-5-15(2)30-20-9-8-18(29-10-11-33-14-21(29)31)13-19(20)27-24(30)28-23(32)17-7-4-6-16(12-17)22(25)26;1-15(29)16-4-2-5-17(12-16)22(31)25-23-24-19-13-18(26-9-11-32-14-21(26)30)6-7-20(19)27(23)8-3-10-28;28-8-1-6-27-18-4-3-15(26-7-9-31-12-20(26)29)11-16(18)24-22(27)25-21(30)14-2-5-19-17(10-14)23-13-32-19/h1,3-6,13-14H,2,7-12,16H2,(H,28,29,32);4,6-9,12-13,15,22H,3,5,10-11,14H2,1-2H3,(H,27,28,32);2,4-7,12-13,28H,3,8-11,14H2,1H3,(H,24,25,31);2-5,10-11,13,28H,1,6-9,12H2,(H,24,25,30)/t;15-;;/m.1../s1
InChIKeyAVINSFOHMWSMTD-FTBZCSGFSA-N
XLogP13.86
TPSA409.28 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001821.96
LogP ≤ 513.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide with MolForge

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Related Compounds

3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide
CID 159786276
3-cyano-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylbenzimidazole-5-carboxamide
CID 160625010
3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide
CID 162225350

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide (CID 157242205) is 3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide is CC(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.CCC[C@@H](C)n1c(NC(=O)c2cccc(C(F)F)c2)nc2cc(N3CCOCC3=O)ccc21.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCCOC4=O)ccc3n2CC2(F)CCOCC2)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2scnc2c1.
What is the InChIKey of 3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide?
The InChIKey is AVINSFOHMWSMTD-FTBZCSGFSA-N. The full InChI is InChI=1S/C25H24FN5O4.C24H26F2N4O3.C23H24N4O5.C22H21N5O4S/c26-25(7-11-34-12-8-25)16-31-21-6-5-19(30-9-2-10-35-24(30)33)14-20(21)28-23(31)29-22(32)18-4-1-3-17(13-18)15-27;1-3-5-15(2)30-20-9-8-18(29-10-11-33-14-21(29)31)13-19(20)27-24(30)28-23(32)17-7-4-6-16(12-17)22(25)26;1-15(29)16-4-2-5-17(12-16)22(31)25-23-24-19-13-18(26-9-11-32-14-21(26)30)6-7-20(19)27(23)8-3-10-28;28-8-1-6-27-18-4-3-15(26-7-9-31-12-20(26)29)11-16(18)24-22(27)25-21(30)14-2-5-19-17(10-14)23-13-32-19/h1,3-6,13-14H,2,7-12,16H2,(H,28,29,32);4,6-9,12-13,15,22H,3,5,10-11,14H2,1-2H3,(H,27,28,32);2,4-7,12-13,28H,3,8-11,14H2,1H3,(H,24,25,31);2-5,10-11,13,28H,1,6-9,12H2,(H,24,25,30)/t;15-;;/m.1../s1.
What are the key properties of 3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide?
3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide has a molecular weight of 1821.96 g/mol, XLogP of 13.86, 25 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[(4-fluorooxan-4-yl)methyl]-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[5-(3-oxomorpholin-4-yl)-1-[(2R)-pentan-2-yl]benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 157242205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).