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

C95H93F5N18O17S — CID 162225350

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;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
SMILESCC(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCCOC4=O)ccc3n2CC2(F)CCOCC2)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1(F)CCOCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2scnc2c1
InChIInChI=1S/C25H24F4N4O4.C25H24FN5O4.C23H24N4O5.C22H21N5O4S/c26-24(7-11-36-12-8-24)15-33-20-6-5-18(32-9-2-10-37-23(32)35)14-19(20)30-22(33)31-21(34)16-3-1-4-17(13-16)25(27,28)29;26-25(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;1-15(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,2,7-12,15H2,(H,30,31,34);1,3-6,13-14H,2,7-12,16H2,(H,28,29,32);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)
InChIKeyZURIXDJMVQGFQH-UHFFFAOYSA-N
MW1885.95 g/mol
LogP14.08
Rot. Bonds23

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;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

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 (PubChem CID 162225350) has the molecular formula C95H93F5N18O17S and a molecular weight of 1885.95 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;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.

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;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
PubChem CID162225350
Molecular FormulaC95H93F5N18O17S
Molecular Weight1885.95 g/mol
Exact Mass1884.66
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;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
SMILESCC(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCCOC4=O)ccc3n2CC2(F)CCOCC2)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1(F)CCOCC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2scnc2c1
InChIInChI=1S/C25H24F4N4O4.C25H24FN5O4.C23H24N4O5.C22H21N5O4S/c26-24(7-11-36-12-8-24)15-33-20-6-5-18(32-9-2-10-37-23(32)35)14-19(20)30-22(33)31-21(34)16-3-1-4-17(13-16)25(27,28)29;26-25(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;1-15(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,2,7-12,15H2,(H,30,31,34);1,3-6,13-14H,2,7-12,16H2,(H,28,29,32);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)
InChIKeyZURIXDJMVQGFQH-UHFFFAOYSA-N
XLogP14.08
TPSA418.51 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001885.95
LogP ≤ 514.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

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;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 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;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

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;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?
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;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) 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;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.
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;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?
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;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 is CC(=O)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.N#Cc1cccc(C(=O)Nc2nc3cc(N4CCCOC4=O)ccc3n2CC2(F)CCOCC2)c1.O=C(Nc1nc2cc(N3CCCOC3=O)ccc2n1CC1(F)CCOCC1)c1cccc(C(F)(F)F)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;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?
The InChIKey is ZURIXDJMVQGFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N4O4.C25H24FN5O4.C23H24N4O5.C22H21N5O4S/c26-24(7-11-36-12-8-24)15-33-20-6-5-18(32-9-2-10-37-23(32)35)14-19(20)30-22(33)31-21(34)16-3-1-4-17(13-16)25(27,28)29;26-25(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;1-15(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,2,7-12,15H2,(H,30,31,34);1,3-6,13-14H,2,7-12,16H2,(H,28,29,32);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).
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;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?
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 has a molecular weight of 1885.95 g/mol, XLogP of 14.08, 23 rotatable bonds, 6 hydrogen bond donors, and 28 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;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 is sourced from PubChem (CID 162225350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).