4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine

C17H17F2N7O — CID 123877201

IUPAC4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1NCN2
InChIInChI=1S/C17H17F2N7O/c18-13(19)16-22-10-3-1-2-4-11(10)26(16)15-12-14(21-9-20-12)23-17(24-15)25-5-7-27-8-6-25/h1-4,13,20H,5-9H2,(H,21,23,24)
InChIKeyLSJREJRJTFAEEP-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.38
Rot. Bonds3

About 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine

4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine (PubChem CID 123877201) has the molecular formula C17H17F2N7O and a molecular weight of 373.37 g/mol. Its IUPAC name is 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine
PubChem CID123877201
Molecular FormulaC17H17F2N7O
Molecular Weight373.37 g/mol
Exact Mass373.15
IUPAC Name4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1NCN2
InChIInChI=1S/C17H17F2N7O/c18-13(19)16-22-10-3-1-2-4-11(10)26(16)15-12-14(21-9-20-12)23-17(24-15)25-5-7-27-8-6-25/h1-4,13,20H,5-9H2,(H,21,23,24)
InChIKeyLSJREJRJTFAEEP-UHFFFAOYSA-N
XLogP2.38
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidin-3-amine
CID 134147858
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine
CID 58285266
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-sulfinic acid
CID 118638783
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 11955443
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 54577773
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-pyridin-3-yloxy-1,3,5-triazin-2-yl]morpholine
CID 58102783
(2R,3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,3-dimethylmorpholine
CID 42613855
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine
CID 51347725
2-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-1,4-thiazinane 1-oxide
CID 57494245
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 51347578
1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 75628287

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine?
The IUPAC name of 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine (CID 123877201) is 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine.
What is the SMILES notation for 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine?
The canonical SMILES for 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine is FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1NCN2.
What is the InChIKey of 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine?
The InChIKey is LSJREJRJTFAEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7O/c18-13(19)16-22-10-3-1-2-4-11(10)26(16)15-12-14(21-9-20-12)23-17(24-15)25-5-7-27-8-6-25/h1-4,13,20H,5-9H2,(H,21,23,24).
What are the key properties of 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine?
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine has a molecular weight of 373.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine is sourced from PubChem (CID 123877201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).