2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine

C25H26FN5O — CID 127251158

IUPAC2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine
SMILESCC(C)n1c(CN2CCOC(c3nccnc3-c3cccc(F)c3)C2)nc2ccccc21
InChIInChI=1S/C25H26FN5O/c1-17(2)31-21-9-4-3-8-20(21)29-23(31)16-30-12-13-32-22(15-30)25-24(27-10-11-28-25)18-6-5-7-19(26)14-18/h3-11,14,17,22H,12-13,15-16H2,1-2H3
InChIKeyDEABVTHBNOUGJL-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.79
Rot. Bonds5

About 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine

2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine (PubChem CID 127251158) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine
PubChem CID127251158
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine
SMILESCC(C)n1c(CN2CCOC(c3nccnc3-c3cccc(F)c3)C2)nc2ccccc21
InChIInChI=1S/C25H26FN5O/c1-17(2)31-21-9-4-3-8-20(21)29-23(31)16-30-12-13-32-22(15-30)25-24(27-10-11-28-25)18-6-5-7-19(26)14-18/h3-11,14,17,22H,12-13,15-16H2,1-2H3
InChIKeyDEABVTHBNOUGJL-UHFFFAOYSA-N
XLogP4.79
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine?
The IUPAC name of 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine (CID 127251158) is 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine is CC(C)n1c(CN2CCOC(c3nccnc3-c3cccc(F)c3)C2)nc2ccccc21.
What is the InChIKey of 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine?
The InChIKey is DEABVTHBNOUGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-17(2)31-21-9-4-3-8-20(21)29-23(31)16-30-12-13-32-22(15-30)25-24(27-10-11-28-25)18-6-5-7-19(26)14-18/h3-11,14,17,22H,12-13,15-16H2,1-2H3.
What are the key properties of 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine?
2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine has a molecular weight of 431.52 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)pyrazin-2-yl]-4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 127251158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).