4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine

C19H22F2N8O — CID 11955695

IUPAC4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1nc(N2CCNCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H22F2N8O/c20-15(21)16-23-13-3-1-2-4-14(13)29(16)19-25-17(27-7-5-22-6-8-27)24-18(26-19)28-9-11-30-12-10-28/h1-4,15,22H,5-12H2
InChIKeyOGBPVMMFHBOWQT-UHFFFAOYSA-N
MW416.44 g/mol
LogP1.39
Rot. Bonds4

About 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine

4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 11955695) has the molecular formula C19H22F2N8O and a molecular weight of 416.44 g/mol. Its IUPAC name is 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID11955695
Molecular FormulaC19H22F2N8O
Molecular Weight416.44 g/mol
Exact Mass416.19
IUPAC Name4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1nc(N2CCNCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H22F2N8O/c20-15(21)16-23-13-3-1-2-4-14(13)29(16)19-25-17(27-7-5-22-6-8-27)24-18(26-19)28-9-11-30-12-10-28/h1-4,15,22H,5-12H2
InChIKeyOGBPVMMFHBOWQT-UHFFFAOYSA-N
XLogP1.39
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine (CID 11955695) is 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine is FC(F)c1nc2ccccc2n1-c1nc(N2CCNCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is OGBPVMMFHBOWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N8O/c20-15(21)16-23-13-3-1-2-4-14(13)29(16)19-25-17(27-7-5-22-6-8-27)24-18(26-19)28-9-11-30-12-10-28/h1-4,15,22H,5-12H2.
What are the key properties of 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 416.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-piperazin-1-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 11955695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).