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

C23H27F2N9O — CID 58285266

IUPAC4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1ncn2CCN1CCNCC1
InChIInChI=1S/C23H27F2N9O/c24-19(25)22-28-16-3-1-2-4-17(16)34(22)21-18-20(29-23(30-21)32-11-13-35-14-12-32)33(15-27-18)10-9-31-7-5-26-6-8-31/h1-4,15,19,26H,5-14H2
InChIKeyOAQRQOZYCICVFD-UHFFFAOYSA-N
MW483.53 g/mol
LogP1.84
Rot. Bonds6

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

4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine (PubChem CID 58285266) has the molecular formula C23H27F2N9O and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine
PubChem CID58285266
Molecular FormulaC23H27F2N9O
Molecular Weight483.53 g/mol
Exact Mass483.23
IUPAC Name4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1ncn2CCN1CCNCC1
InChIInChI=1S/C23H27F2N9O/c24-19(25)22-28-16-3-1-2-4-17(16)34(22)21-18-20(29-23(30-21)32-11-13-35-14-12-32)33(15-27-18)10-9-31-7-5-26-6-8-31/h1-4,15,19,26H,5-14H2
InChIKeyOAQRQOZYCICVFD-UHFFFAOYSA-N
XLogP1.84
TPSA89.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol
CID 44608908
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(1-methylsulfonylpiperidin-4-yl)purin-2-yl]morpholine
CID 51347725
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
(2R)-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 51347727
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-8,9-dihydro-7H-purin-2-yl]morpholine
CID 123877201
5-[2-morpholin-4-yl-9-(2-piperazin-1-ylethyl)purin-6-yl]pyrimidin-2-amine
CID 58285250
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
CID 50930759
5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
CID 123563431
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-(4-ethylsulfonylpiperazin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 54577773
methyl 2-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)purin-9-yl]propanoate
CID 58285237

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine?
The IUPAC name of 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine (CID 58285266) is 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine.
What is the SMILES notation for 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine?
The canonical SMILES for 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine is FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc2c1ncn2CCN1CCNCC1.
What is the InChIKey of 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine?
The InChIKey is OAQRQOZYCICVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N9O/c24-19(25)22-28-16-3-1-2-4-17(16)34(22)21-18-20(29-23(30-21)32-11-13-35-14-12-32)33(15-27-18)10-9-31-7-5-26-6-8-31/h1-4,15,19,26H,5-14H2.
What are the key properties of 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine?
4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine has a molecular weight of 483.53 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-9-(2-piperazin-1-ylethyl)purin-2-yl]morpholine is sourced from PubChem (CID 58285266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).