N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide

C91H95N17O21S — CID 159380498

IUPACN-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide
SMILESC[C@H](CCO)n1c(NC(=O)c2cccc(S(C)(=O)=O)c2)nc2cc(N3CCOCC3=O)ccc21.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2c(c1)COC2=O.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2c(c1)N=CC2.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(CO)c1
InChIInChI=1S/C23H23N5O4.C23H26N4O6S.C23H22N4O6.C22H24N4O5/c29-10-1-8-28-20-5-4-17(27-9-11-32-14-21(27)30)13-19(20)25-23(28)26-22(31)16-3-2-15-6-7-24-18(15)12-16;1-15(8-10-28)27-20-7-6-17(26-9-11-33-14-21(26)29)13-19(20)24-23(27)25-22(30)16-4-3-5-18(12-16)34(2,31)32;28-8-1-6-27-19-5-3-16(26-7-9-32-13-20(26)29)11-18(19)24-23(27)25-21(30)14-2-4-17-15(10-14)12-33-22(17)31;27-9-2-7-26-19-6-5-17(25-8-10-31-14-20(25)29)12-18(19)23-22(26)24-21(30)16-4-1-3-15(11-16)13-28/h2-5,7,12-13,29H,1,6,8-11,14H2,(H,25,26,31);3-7,12-13,15,28H,8-11,14H2,1-2H3,(H,24,25,30);2-5,10-11,28H,1,6-9,12-13H2,(H,24,25,30);1,3-6,11-12,27-28H,2,7-10,13-14H2,(H,23,24,30)/t;15-;;/m.1../s1
InChIKeyLKVNMXMQXOUHEQ-FTBZCSGFSA-N
MW1794.93 g/mol
LogP7.52
Rot. Bonds26

About N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide

N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide (PubChem CID 159380498) has the molecular formula C91H95N17O21S and a molecular weight of 1794.93 g/mol. Its IUPAC name is N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide
PubChem CID159380498
Molecular FormulaC91H95N17O21S
Molecular Weight1794.93 g/mol
Exact Mass1793.66
IUPAC NameN-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide
SMILESC[C@H](CCO)n1c(NC(=O)c2cccc(S(C)(=O)=O)c2)nc2cc(N3CCOCC3=O)ccc21.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2c(c1)COC2=O.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2c(c1)N=CC2.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(CO)c1
InChIInChI=1S/C23H23N5O4.C23H26N4O6S.C23H22N4O6.C22H24N4O5/c29-10-1-8-28-20-5-4-17(27-9-11-32-14-21(27)30)13-19(20)25-23(28)26-22(31)16-3-2-15-6-7-24-18(15)12-16;1-15(8-10-28)27-20-7-6-17(26-9-11-33-14-21(26)29)13-19(20)24-23(27)25-22(30)16-4-3-5-18(12-16)34(2,31)32;28-8-1-6-27-19-5-3-16(26-7-9-32-13-20(26)29)11-18(19)24-23(27)25-21(30)14-2-4-17-15(10-14)12-33-22(17)31;27-9-2-7-26-19-6-5-17(25-8-10-31-14-20(25)29)12-18(19)23-22(26)24-21(30)16-4-1-3-15(11-16)13-28/h2-5,7,12-13,29H,1,6,8-11,14H2,(H,25,26,31);3-7,12-13,15,28H,8-11,14H2,1-2H3,(H,24,25,30);2-5,10-11,28H,1,6-9,12-13H2,(H,24,25,30);1,3-6,11-12,27-28H,2,7-10,13-14H2,(H,23,24,30)/t;15-;;/m.1../s1
InChIKeyLKVNMXMQXOUHEQ-FTBZCSGFSA-N
XLogP7.52
TPSA479.79 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001794.93
LogP ≤ 57.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide with MolForge

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Related Compounds

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 159708026
N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(1-methyl-2-oxo-4-pyridinyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethylsulfonyl)benzamide;3-[2-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethenyl]-1-[(3S)-5-oxopyrrolidin-3-yl]benzimidazol-5-yl]-1,3-oxazinan-2-one
CID 162243295
3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-2,3-dihydro-1H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide
CID 157348632
3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 160401625
3-(difluoromethyl)-N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]benzamide;N-[1-(4-hydroxycyclohexyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide
CID 161387990

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide?
The IUPAC name of N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide (CID 159380498) is N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide is C[C@H](CCO)n1c(NC(=O)c2cccc(S(C)(=O)=O)c2)nc2cc(N3CCOCC3=O)ccc21.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2c(c1)COC2=O.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1ccc2c(c1)N=CC2.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(CO)c1.
What is the InChIKey of N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide?
The InChIKey is LKVNMXMQXOUHEQ-FTBZCSGFSA-N. The full InChI is InChI=1S/C23H23N5O4.C23H26N4O6S.C23H22N4O6.C22H24N4O5/c29-10-1-8-28-20-5-4-17(27-9-11-32-14-21(27)30)13-19(20)25-23(28)26-22(31)16-3-2-15-6-7-24-18(15)12-16;1-15(8-10-28)27-20-7-6-17(26-9-11-33-14-21(26)29)13-19(20)24-23(27)25-22(30)16-4-3-5-18(12-16)34(2,31)32;28-8-1-6-27-19-5-3-16(26-7-9-32-13-20(26)29)11-18(19)24-23(27)25-21(30)14-2-4-17-15(10-14)12-33-22(17)31;27-9-2-7-26-19-6-5-17(25-8-10-31-14-20(25)29)12-18(19)23-22(26)24-21(30)16-4-1-3-15(11-16)13-28/h2-5,7,12-13,29H,1,6,8-11,14H2,(H,25,26,31);3-7,12-13,15,28H,8-11,14H2,1-2H3,(H,24,25,30);2-5,10-11,28H,1,6-9,12-13H2,(H,24,25,30);1,3-6,11-12,27-28H,2,7-10,13-14H2,(H,23,24,30)/t;15-;;/m.1../s1.
What are the key properties of N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide?
N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide has a molecular weight of 1794.93 g/mol, XLogP of 7.52, 26 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-4-hydroxybutan-2-yl]-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-methylsulfonylbenzamide;3-(hydroxymethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3H-indole-6-carboxamide;N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide is sourced from PubChem (CID 159380498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).