4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline

C118H110F3N17O2 — CID 159775658

IUPAC4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline
SMILESCc1cc(-c2ncccc2-c2ccc3cnccc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(CCN4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(CCN4CCOCC4)c3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3cnccc3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3ncn(CCN4CCOCC4)c3c2)c1
InChIInChI=1S/C26H28FN5.C25H25FN4O.C25H26N4O.C21H15FN2.C21H16N2/c1-19-16-21(5-7-23(19)27)26-22(4-3-9-28-26)20-6-8-24-25(17-20)32(18-29-24)15-14-31-12-10-30(2)11-13-31;1-18-15-20(4-6-22(18)26)25-21(3-2-8-27-25)19-5-7-23-24(16-19)30(17-28-23)10-9-29-11-13-31-14-12-29;1-19-4-2-5-21(16-19)25-22(6-3-9-26-25)20-7-8-23-24(17-20)29(18-27-23)11-10-28-12-14-30-15-13-28;1-14-11-17(6-7-20(14)22)21-19(3-2-9-24-21)16-4-5-18-13-23-10-8-15(18)12-16;1-15-4-2-5-18(12-15)21-20(6-3-10-23-21)17-7-8-19-14-22-11-9-16(19)13-17/h3-9,16-18H,10-15H2,1-2H3;2-8,15-17H,9-14H2,1H3;2-9,16-18H,10-15H2,1H3;2-13H,1H3;2-14H,1H3
InChIKeyNGRYOPOOQMUOOD-UHFFFAOYSA-N
MW1855.29 g/mol
LogP24.09
Rot. Bonds19

About 4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline

4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline (PubChem CID 159775658) has the molecular formula C118H110F3N17O2 and a molecular weight of 1855.29 g/mol. Its IUPAC name is 4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline.

Molecular Properties

Compound Name4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline
PubChem CID159775658
Molecular FormulaC118H110F3N17O2
Molecular Weight1855.29 g/mol
Exact Mass1853.90
IUPAC Name4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline
SMILESCc1cc(-c2ncccc2-c2ccc3cnccc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(CCN4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(CCN4CCOCC4)c3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3cnccc3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3ncn(CCN4CCOCC4)c3c2)c1
InChIInChI=1S/C26H28FN5.C25H25FN4O.C25H26N4O.C21H15FN2.C21H16N2/c1-19-16-21(5-7-23(19)27)26-22(4-3-9-28-26)20-6-8-24-25(17-20)32(18-29-24)15-14-31-12-10-30(2)11-13-31;1-18-15-20(4-6-22(18)26)25-21(3-2-8-27-25)19-5-7-23-24(16-19)30(17-28-23)10-9-29-11-13-31-14-12-29;1-19-4-2-5-21(16-19)25-22(6-3-9-26-25)20-7-8-23-24(17-20)29(18-27-23)11-10-28-12-14-30-15-13-28;1-14-11-17(6-7-20(14)22)21-19(3-2-9-24-21)16-4-5-18-13-23-10-8-15(18)12-16;1-15-4-2-5-18(12-15)21-20(6-3-10-23-21)17-7-8-19-14-22-11-9-16(19)13-17/h3-9,16-18H,10-15H2,1-2H3;2-8,15-17H,9-14H2,1H3;2-9,16-18H,10-15H2,1H3;2-13H,1H3;2-14H,1H3
InChIKeyNGRYOPOOQMUOOD-UHFFFAOYSA-N
XLogP24.09
TPSA175.11 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001855.29
LogP ≤ 524.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline?
The IUPAC name of 4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline (CID 159775658) is 4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline.
What is the SMILES notation for 4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline?
The canonical SMILES for 4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline is Cc1cc(-c2ncccc2-c2ccc3cnccc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(CCN4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(CCN4CCOCC4)c3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3cnccc3c2)c1.Cc1cccc(-c2ncccc2-c2ccc3ncn(CCN4CCOCC4)c3c2)c1.
What is the InChIKey of 4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline?
The InChIKey is NGRYOPOOQMUOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5.C25H25FN4O.C25H26N4O.C21H15FN2.C21H16N2/c1-19-16-21(5-7-23(19)27)26-22(4-3-9-28-26)20-6-8-24-25(17-20)32(18-29-24)15-14-31-12-10-30(2)11-13-31;1-18-15-20(4-6-22(18)26)25-21(3-2-8-27-25)19-5-7-23-24(16-19)30(17-28-23)10-9-29-11-13-31-14-12-29;1-19-4-2-5-21(16-19)25-22(6-3-9-26-25)20-7-8-23-24(17-20)29(18-27-23)11-10-28-12-14-30-15-13-28;1-14-11-17(6-7-20(14)22)21-19(3-2-9-24-21)16-4-5-18-13-23-10-8-15(18)12-16;1-15-4-2-5-18(12-15)21-20(6-3-10-23-21)17-7-8-19-14-22-11-9-16(19)13-17/h3-9,16-18H,10-15H2,1-2H3;2-8,15-17H,9-14H2,1H3;2-9,16-18H,10-15H2,1H3;2-13H,1H3;2-14H,1H3.
What are the key properties of 4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline?
4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline has a molecular weight of 1855.29 g/mol, XLogP of 24.09, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]isoquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole;4-[2-[6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazol-1-yl]ethyl]morpholine;6-[2-(3-methylphenyl)-3-pyridinyl]isoquinoline is sourced from PubChem (CID 159775658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).