4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine

C26H28FN5O2 — CID 90937313

IUPAC4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
SMILESCc1ccc2nc(C)n(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)c2c1F
InChIInChI=1S/C26H28FN5O2/c1-18-6-7-23-25(24(18)27)32(19(2)30-23)17-20-4-3-5-21(14-20)26-28-15-22(16-29-26)34-13-10-31-8-11-33-12-9-31/h3-7,14-16H,8-13,17H2,1-2H3
InChIKeyPGVWBKAHFWYICA-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.01
Rot. Bonds7

About 4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine

4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine (PubChem CID 90937313) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
PubChem CID90937313
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
SMILESCc1ccc2nc(C)n(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)c2c1F
InChIInChI=1S/C26H28FN5O2/c1-18-6-7-23-25(24(18)27)32(19(2)30-23)17-20-4-3-5-21(14-20)26-28-15-22(16-29-26)34-13-10-31-8-11-33-12-9-31/h3-7,14-16H,8-13,17H2,1-2H3
InChIKeyPGVWBKAHFWYICA-UHFFFAOYSA-N
XLogP4.01
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine (CID 90937313) is 4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine is Cc1ccc2nc(C)n(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)c2c1F.
What is the InChIKey of 4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine?
The InChIKey is PGVWBKAHFWYICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-18-6-7-23-25(24(18)27)32(19(2)30-23)17-20-4-3-5-21(14-20)26-28-15-22(16-29-26)34-13-10-31-8-11-33-12-9-31/h3-7,14-16H,8-13,17H2,1-2H3.
What are the key properties of 4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine?
4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine has a molecular weight of 461.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine is sourced from PubChem (CID 90937313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).