3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide

C88H92ClF3N16O16 — CID 158822383

IUPAC3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(CF)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(Cl)c1
InChIInChI=1S/C23H24F2N4O4.C22H23FN4O4.C22H24N4O4.C21H21ClN4O4/c1-23(24,25)16-5-2-4-15(12-16)21(32)27-22-26-18-13-17(28-9-11-33-14-20(28)31)6-7-19(18)29(22)8-3-10-30;23-13-15-3-1-4-16(11-15)21(30)25-22-24-18-12-17(26-8-10-31-14-20(26)29)5-6-19(18)27(22)7-2-9-28;1-15-4-2-5-16(12-15)21(29)24-22-23-18-13-17(25-9-11-30-14-20(25)28)6-7-19(18)26(22)8-3-10-27;22-15-4-1-3-14(11-15)20(29)24-21-23-17-12-16(25-8-10-30-13-19(25)28)5-6-18(17)26(21)7-2-9-27/h2,4-7,12-13,30H,3,8-11,14H2,1H3,(H,26,27,32);1,3-6,11-12,28H,2,7-10,13-14H2,(H,24,25,30);2,4-7,12-13,27H,3,8-11,14H2,1H3,(H,23,24,29);1,3-6,11-12,27H,2,7-10,13H2,(H,23,24,29)
InChIKeyIWANNFMFDALIJK-UHFFFAOYSA-N
MW1722.25 g/mol
LogP10.68
Rot. Bonds26

About 3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide

3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide (PubChem CID 158822383) has the molecular formula C88H92ClF3N16O16 and a molecular weight of 1722.25 g/mol. Its IUPAC name is 3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide
PubChem CID158822383
Molecular FormulaC88H92ClF3N16O16
Molecular Weight1722.25 g/mol
Exact Mass1720.65
IUPAC Name3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(CF)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(Cl)c1
InChIInChI=1S/C23H24F2N4O4.C22H23FN4O4.C22H24N4O4.C21H21ClN4O4/c1-23(24,25)16-5-2-4-15(12-16)21(32)27-22-26-18-13-17(28-9-11-33-14-20(28)31)6-7-19(18)29(22)8-3-10-30;23-13-15-3-1-4-16(11-15)21(30)25-22-24-18-12-17(26-8-10-31-14-20(26)29)5-6-19(18)27(22)7-2-9-28;1-15-4-2-5-16(12-15)21(29)24-22-23-18-13-17(25-9-11-30-14-20(25)28)6-7-19(18)26(22)8-3-10-27;22-15-4-1-3-14(11-15)20(29)24-21-23-17-12-16(25-8-10-30-13-19(25)28)5-6-18(17)26(21)7-2-9-27/h2,4-7,12-13,30H,3,8-11,14H2,1H3,(H,26,27,32);1,3-6,11-12,28H,2,7-10,13-14H2,(H,24,25,30);2,4-7,12-13,27H,3,8-11,14H2,1H3,(H,23,24,29);1,3-6,11-12,27H,2,7-10,13H2,(H,23,24,29)
InChIKeyIWANNFMFDALIJK-UHFFFAOYSA-N
XLogP10.68
TPSA386.76 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms124
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001722.25
LogP ≤ 510.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide?
The IUPAC name of 3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide (CID 158822383) is 3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide?
The canonical SMILES for 3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide is CC(F)(F)c1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.Cc1cccc(C(=O)Nc2nc3cc(N4CCOCC4=O)ccc3n2CCCO)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(CF)c1.O=C(Nc1nc2cc(N3CCOCC3=O)ccc2n1CCCO)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide?
The InChIKey is IWANNFMFDALIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O4.C22H23FN4O4.C22H24N4O4.C21H21ClN4O4/c1-23(24,25)16-5-2-4-15(12-16)21(32)27-22-26-18-13-17(28-9-11-33-14-20(28)31)6-7-19(18)29(22)8-3-10-30;23-13-15-3-1-4-16(11-15)21(30)25-22-24-18-12-17(26-8-10-31-14-20(26)29)5-6-19(18)27(22)7-2-9-28;1-15-4-2-5-16(12-15)21(29)24-22-23-18-13-17(25-9-11-30-14-20(25)28)6-7-19(18)26(22)8-3-10-27;22-15-4-1-3-14(11-15)20(29)24-21-23-17-12-16(25-8-10-30-13-19(25)28)5-6-18(17)26(21)7-2-9-27/h2,4-7,12-13,30H,3,8-11,14H2,1H3,(H,26,27,32);1,3-6,11-12,28H,2,7-10,13-14H2,(H,24,25,30);2,4-7,12-13,27H,3,8-11,14H2,1H3,(H,23,24,29);1,3-6,11-12,27H,2,7-10,13H2,(H,23,24,29).
What are the key properties of 3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide?
3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide has a molecular weight of 1722.25 g/mol, XLogP of 10.68, 26 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(1,1-difluoroethyl)-N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide;3-(fluoromethyl)-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]-3-methylbenzamide is sourced from PubChem (CID 158822383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).