4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine

C22H23F2N7O2 — CID 44608909

IUPAC4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1ncn2C1CCOCC1
InChIInChI=1S/C22H23F2N7O2/c23-18(24)21-26-15-3-1-2-4-16(15)31(21)20-17-19(27-22(28-20)29-7-11-33-12-8-29)30(13-25-17)14-5-9-32-10-6-14/h1-4,13-14,18H,5-12H2
InChIKeyXLOLEZIGIUOGEC-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.29
Rot. Bonds4

About 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine

4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine (PubChem CID 44608909) has the molecular formula C22H23F2N7O2 and a molecular weight of 455.47 g/mol. Its IUPAC name is 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine
PubChem CID44608909
Molecular FormulaC22H23F2N7O2
Molecular Weight455.47 g/mol
Exact Mass455.19
IUPAC Name4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1ncn2C1CCOCC1
InChIInChI=1S/C22H23F2N7O2/c23-18(24)21-26-15-3-1-2-4-16(15)31(21)20-17-19(27-22(28-20)29-7-11-33-12-8-29)30(13-25-17)14-5-9-32-10-6-14/h1-4,13-14,18H,5-12H2
InChIKeyXLOLEZIGIUOGEC-UHFFFAOYSA-N
XLogP3.29
TPSA83.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine?
The IUPAC name of 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine (CID 44608909) is 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine.
What is the SMILES notation for 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine?
The canonical SMILES for 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine is FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1ncn2C1CCOCC1.
What is the InChIKey of 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine?
The InChIKey is XLOLEZIGIUOGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N7O2/c23-18(24)21-26-15-3-1-2-4-16(15)31(21)20-17-19(27-22(28-20)29-7-11-33-12-8-29)30(13-25-17)14-5-9-32-10-6-14/h1-4,13-14,18H,5-12H2.
What are the key properties of 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine?
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine has a molecular weight of 455.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(oxan-4-yl)purin-2-yl]morpholine is sourced from PubChem (CID 44608909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).