4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine

C20H22F2N6O2 — CID 56593830

IUPAC4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H22F2N6O2/c21-18(22)19-23-14-3-1-2-4-15(14)28(19)17-13-16(26-5-9-29-10-6-26)24-20(25-17)27-7-11-30-12-8-27/h1-4,13,18H,5-12H2
InChIKeyPTQZXNBKPVZFOG-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.43
Rot. Bonds4

About 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine

4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine (PubChem CID 56593830) has the molecular formula C20H22F2N6O2 and a molecular weight of 416.43 g/mol. Its IUPAC name is 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine
PubChem CID56593830
Molecular FormulaC20H22F2N6O2
Molecular Weight416.43 g/mol
Exact Mass416.18
IUPAC Name4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H22F2N6O2/c21-18(22)19-23-14-3-1-2-4-15(14)28(19)17-13-16(26-5-9-29-10-6-26)24-20(25-17)27-7-11-30-12-8-27/h1-4,13,18H,5-12H2
InChIKeyPTQZXNBKPVZFOG-UHFFFAOYSA-N
XLogP2.43
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine (CID 56593830) is 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine is FC(F)c1nc2ccccc2n1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine?
The InChIKey is PTQZXNBKPVZFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O2/c21-18(22)19-23-14-3-1-2-4-15(14)28(19)17-13-16(26-5-9-29-10-6-26)24-20(25-17)27-7-11-30-12-8-27/h1-4,13,18H,5-12H2.
What are the key properties of 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine?
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine has a molecular weight of 416.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 56593830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).