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

C92H88F3N19O16 — CID 158420570

IUPAC3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESC[C@H](CCO)n1c(NC(=O)c2cccc(C#N)c2)nc2cc(N3CCOCC3=O)ccc21.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCOC4=O)ccc3n2CCCO)c1.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CC2(CO)CC2)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CC1(CO)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N4O4.C24H23N5O4.C23H23N5O4.C21H19N5O4/c25-24(26,27)16-3-1-2-15(10-16)21(34)29-22-28-18-11-17(30-8-9-35-12-20(30)33)4-5-19(18)31(22)13-23(14-32)6-7-23;25-12-16-2-1-3-17(10-16)22(32)27-23-26-19-11-18(28-8-9-33-13-21(28)31)4-5-20(19)29(23)14-24(15-30)6-7-24;1-15(7-9-29)28-20-6-5-18(27-8-10-32-14-21(27)30)12-19(20)25-23(28)26-22(31)17-4-2-3-16(11-17)13-24;22-13-14-3-1-4-15(11-14)19(28)24-20-23-17-12-16(25-8-10-30-21(25)29)5-6-18(17)26(20)7-2-9-27/h1-5,10-11,32H,6-9,12-14H2,(H,28,29,34);1-5,10-11,30H,6-9,13-15H2,(H,26,27,32);2-6,11-12,15,29H,7-10,14H2,1H3,(H,25,26,31);1,3-6,11-12,27H,2,7-10H2,(H,23,24,28)/t;;15-;/m..1./s1
InChIKeyHALBXNMMTCZJRU-INFGGBCXSA-N
MW1772.83 g/mol
LogP10.71
Rot. Bonds24

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

3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 158420570) has the molecular formula C92H88F3N19O16 and a molecular weight of 1772.83 g/mol. Its IUPAC name is 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID158420570
Molecular FormulaC92H88F3N19O16
Molecular Weight1772.83 g/mol
Exact Mass1771.66
IUPAC Name3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESC[C@H](CCO)n1c(NC(=O)c2cccc(C#N)c2)nc2cc(N3CCOCC3=O)ccc21.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCOC4=O)ccc3n2CCCO)c1.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CC2(CO)CC2)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CC1(CO)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N4O4.C24H23N5O4.C23H23N5O4.C21H19N5O4/c25-24(26,27)16-3-1-2-15(10-16)21(34)29-22-28-18-11-17(30-8-9-35-12-20(30)33)4-5-19(18)31(22)13-23(14-32)6-7-23;25-12-16-2-1-3-17(10-16)22(32)27-23-26-19-11-18(28-8-9-33-13-21(28)31)4-5-20(19)29(23)14-24(15-30)6-7-24;1-15(7-9-29)28-20-6-5-18(27-8-10-32-14-21(27)30)12-19(20)25-23(28)26-22(31)17-4-2-3-16(11-17)13-24;22-13-14-3-1-4-15(11-14)19(28)24-20-23-17-12-16(25-8-10-30-21(25)29)5-6-18(17)26(20)7-2-9-27/h1-5,10-11,32H,6-9,12-14H2,(H,28,29,34);1-5,10-11,30H,6-9,13-15H2,(H,26,27,32);2-6,11-12,15,29H,7-10,14H2,1H3,(H,25,26,31);1,3-6,11-12,27H,2,7-10H2,(H,23,24,28)/t;;15-;/m..1./s1
InChIKeyHALBXNMMTCZJRU-INFGGBCXSA-N
XLogP10.71
TPSA458.13 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001772.83
LogP ≤ 510.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-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-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 158420570) is 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-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-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-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-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is C[C@H](CCO)n1c(NC(=O)c2cccc(C#N)c2)nc2cc(N3CCOCC3=O)ccc21.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCOC4=O)ccc3n2CCCO)c1.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CC2(CO)CC2)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CC1(CO)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is HALBXNMMTCZJRU-INFGGBCXSA-N. The full InChI is InChI=1S/C24H23F3N4O4.C24H23N5O4.C23H23N5O4.C21H19N5O4/c25-24(26,27)16-3-1-2-15(10-16)21(34)29-22-28-18-11-17(30-8-9-35-12-20(30)33)4-5-19(18)31(22)13-23(14-32)6-7-23;25-12-16-2-1-3-17(10-16)22(32)27-23-26-19-11-18(28-8-9-33-13-21(28)31)4-5-20(19)29(23)14-24(15-30)6-7-24;1-15(7-9-29)28-20-6-5-18(27-8-10-32-14-21(27)30)12-19(20)25-23(28)26-22(31)17-4-2-3-16(11-17)13-24;22-13-14-3-1-4-15(11-14)19(28)24-20-23-17-12-16(25-8-10-30-21(25)29)5-6-18(17)26(20)7-2-9-27/h1-5,10-11,32H,6-9,12-14H2,(H,28,29,34);1-5,10-11,30H,6-9,13-15H2,(H,26,27,32);2-6,11-12,15,29H,7-10,14H2,1H3,(H,25,26,31);1,3-6,11-12,27H,2,7-10H2,(H,23,24,28)/t;;15-;/m..1./s1.
What are the key properties of 3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
3-cyano-N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 1772.83 g/mol, XLogP of 10.71, 24 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-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-cyano-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazolidin-3-yl)benzimidazol-2-yl]benzamide;N-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158420570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).