3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide

C86H87F8N19O15 — CID 158021632

IUPAC3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide
SMILESCc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO.Cc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.O=C(Nc1nc2cc(N3CCNC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cnccn1
InChIInChI=1S/C23H23F3N4O4.C23H24F2N4O4.C21H20F3N5O3.C19H20N6O4/c1-14-10-19-17(12-18(14)29-7-9-34-13-20(29)32)27-22(30(19)6-3-8-31)28-21(33)15-4-2-5-16(11-15)23(24,25)26;1-14-10-19-17(12-18(14)28-7-9-33-13-20(28)31)26-23(29(19)6-3-8-30)27-22(32)16-5-2-4-15(11-16)21(24)25;22-21(23,24)14-4-1-3-13(11-14)18(31)27-19-26-16-12-15(28-9-7-25-20(28)32)5-6-17(16)29(19)8-2-10-30;26-8-1-6-25-16-3-2-13(24-7-9-29-12-17(24)27)10-14(16)22-19(25)23-18(28)15-11-20-4-5-21-15/h2,4-5,10-12,31H,3,6-9,13H2,1H3,(H,27,28,33);2,4-5,10-12,21,30H,3,6-9,13H2,1H3,(H,26,27,32);1,3-6,11-12,30H,2,7-10H2,(H,25,32)(H,26,27,31);2-5,10-11,26H,1,6-9,12H2,(H,22,23,28)
InChIKeyFGDARAWNNYYBMB-UHFFFAOYSA-N
MW1778.74 g/mol
LogP10.69
Rot. Bonds25

About 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide (PubChem CID 158021632) has the molecular formula C86H87F8N19O15 and a molecular weight of 1778.74 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide
PubChem CID158021632
Molecular FormulaC86H87F8N19O15
Molecular Weight1778.74 g/mol
Exact Mass1777.65
IUPAC Name3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide
SMILESCc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO.Cc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.O=C(Nc1nc2cc(N3CCNC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cnccn1
InChIInChI=1S/C23H23F3N4O4.C23H24F2N4O4.C21H20F3N5O3.C19H20N6O4/c1-14-10-19-17(12-18(14)29-7-9-34-13-20(29)32)27-22(30(19)6-3-8-31)28-21(33)15-4-2-5-16(11-15)23(24,25)26;1-14-10-19-17(12-18(14)28-7-9-33-13-20(28)31)26-23(29(19)6-3-8-30)27-22(32)16-5-2-4-15(11-16)21(24)25;22-21(23,24)14-4-1-3-13(11-14)18(31)27-19-26-16-12-15(28-9-7-25-20(28)32)5-6-17(16)29(19)8-2-10-30;26-8-1-6-25-16-3-2-13(24-7-9-29-12-17(24)27)10-14(16)22-19(25)23-18(28)15-11-20-4-5-21-15/h2,4-5,10-12,31H,3,6-9,13H2,1H3,(H,27,28,33);2,4-5,10-12,21,30H,3,6-9,13H2,1H3,(H,26,27,32);1,3-6,11-12,30H,2,7-10H2,(H,25,32)(H,26,27,31);2-5,10-11,26H,1,6-9,12H2,(H,22,23,28)
InChIKeyFGDARAWNNYYBMB-UHFFFAOYSA-N
XLogP10.69
TPSA415.34 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms128
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001778.74
LogP ≤ 510.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide (CID 158021632) is 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide is Cc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2CCCO.Cc1cc2c(cc1N1CCOCC1=O)nc(NC(=O)c1cccc(C(F)F)c1)n2CCCO.O=C(Nc1nc2cc(N3CCNC3=O)ccc2n1CCCO)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cnccn1.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is FGDARAWNNYYBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O4.C23H24F2N4O4.C21H20F3N5O3.C19H20N6O4/c1-14-10-19-17(12-18(14)29-7-9-34-13-20(29)32)27-22(30(19)6-3-8-31)28-21(33)15-4-2-5-16(11-15)23(24,25)26;1-14-10-19-17(12-18(14)28-7-9-33-13-20(28)31)26-23(29(19)6-3-8-30)27-22(32)16-5-2-4-15(11-16)21(24)25;22-21(23,24)14-4-1-3-13(11-14)18(31)27-19-26-16-12-15(28-9-7-25-20(28)32)5-6-17(16)29(19)8-2-10-30;26-8-1-6-25-16-3-2-13(24-7-9-29-12-17(24)27)10-14(16)22-19(25)23-18(28)15-11-20-4-5-21-15/h2,4-5,10-12,31H,3,6-9,13H2,1H3,(H,27,28,33);2,4-5,10-12,21,30H,3,6-9,13H2,1H3,(H,26,27,32);1,3-6,11-12,30H,2,7-10H2,(H,25,32)(H,26,27,31);2-5,10-11,26H,1,6-9,12H2,(H,22,23,28).
What are the key properties of 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide?
3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 1778.74 g/mol, XLogP of 10.69, 25 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(2-oxoimidazolidin-1-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158021632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).