2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol

C19H19F2N7O2 — CID 44608747

IUPAC2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol
SMILESOCCn1cnc2c(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)nc21
InChIInChI=1S/C19H19F2N7O2/c20-15(21)18-23-12-3-1-2-4-13(12)28(18)17-14-16(27(5-8-29)11-22-14)24-19(25-17)26-6-9-30-10-7-26/h1-4,11,15,29H,5-10H2
InChIKeyQFOCMNUYDYTUPQ-UHFFFAOYSA-N
MW415.40 g/mol
LogP1.93
Rot. Bonds5

About 2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol

2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol (PubChem CID 44608747) has the molecular formula C19H19F2N7O2 and a molecular weight of 415.40 g/mol. Its IUPAC name is 2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol.

Molecular Properties

Compound Name2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol
PubChem CID44608747
Molecular FormulaC19H19F2N7O2
Molecular Weight415.40 g/mol
Exact Mass415.16
IUPAC Name2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol
SMILESOCCn1cnc2c(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)nc21
InChIInChI=1S/C19H19F2N7O2/c20-15(21)18-23-12-3-1-2-4-13(12)28(18)17-14-16(27(5-8-29)11-22-14)24-19(25-17)26-6-9-30-10-7-26/h1-4,11,15,29H,5-10H2
InChIKeyQFOCMNUYDYTUPQ-UHFFFAOYSA-N
XLogP1.93
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol?
The IUPAC name of 2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol (CID 44608747) is 2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol.
What is the SMILES notation for 2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol?
The canonical SMILES for 2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol is OCCn1cnc2c(-n3c(C(F)F)nc4ccccc43)nc(N3CCOCC3)nc21.
What is the InChIKey of 2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol?
The InChIKey is QFOCMNUYDYTUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O2/c20-15(21)18-23-12-3-1-2-4-13(12)28(18)17-14-16(27(5-8-29)11-22-14)24-19(25-17)26-6-9-30-10-7-26/h1-4,11,15,29H,5-10H2.
What are the key properties of 2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol?
2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol has a molecular weight of 415.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]ethanol is sourced from PubChem (CID 44608747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).