(7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one

C17H19N5O — CID 18659372

IUPAC(7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one
SMILESCc1nc2c(n1Cc1ccccc1)C(=O)N(C)C1=N[C@H](C)CN12
InChIInChI=1S/C17H19N5O/c1-11-9-22-15-14(16(23)20(3)17(22)18-11)21(12(2)19-15)10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyIEPMPAZHBXLCOP-LLVKDONJSA-N
MW309.37 g/mol
LogP1.89
Rot. Bonds2

About (7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one

(7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one (PubChem CID 18659372) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one.

Molecular Properties

Compound Name(7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one
PubChem CID18659372
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one
SMILESCc1nc2c(n1Cc1ccccc1)C(=O)N(C)C1=N[C@H](C)CN12
InChIInChI=1S/C17H19N5O/c1-11-9-22-15-14(16(23)20(3)17(22)18-11)21(12(2)19-15)10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyIEPMPAZHBXLCOP-LLVKDONJSA-N
XLogP1.89
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6aR,10aS)-2,3-dibenzyl-5-methyl-6a,7,8,9,10,10a-hexahydrobenzimidazolo[2,1-b]purin-4-one
CID 143688752
(7R)-7-benzyl-2-bromo-5-ethyl-3-[(4-hydroxyphenyl)methyl]-7,8-dihydroimidazo[2,1-b]purin-4-one
CID 11547485
(7R)-2-benzyl-5-methyl-7-propan-2-yl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one
CID 25142167
[(11R,15S)-5-benzyl-8-methyl-7-oxo-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-4-yl] methyl carbonate
CID 67694729
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
8,11-dimethyl-5-phenylsulfanyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
CID 46834322
3-benzyl-6-chloro-2,5-dimethylpyrimidin-4-one
CID 143373161
(11R,15S)-5-benzyl-8-methyl-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one
CID 10496436
9-benzyl-1,8-dimethyl-3H-purine-2,6-dione
CID 662013
3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
CID 135737348
1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone
CID 139467477
(11R)-5-benzyl-8-methyl-4-[(4-phenylphenyl)methyl]-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
CID 11988836

Frequently Asked Questions

What is the IUPAC name of (7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one?
The IUPAC name of (7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one (CID 18659372) is (7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one.
What is the SMILES notation for (7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one?
The canonical SMILES for (7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one is Cc1nc2c(n1Cc1ccccc1)C(=O)N(C)C1=N[C@H](C)CN12.
What is the InChIKey of (7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one?
The InChIKey is IEPMPAZHBXLCOP-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-9-22-15-14(16(23)20(3)17(22)18-11)21(12(2)19-15)10-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one?
(7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one has a molecular weight of 309.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-benzyl-2,5,7-trimethyl-7,8-dihydroimidazo[2,1-b]purin-4-one is sourced from PubChem (CID 18659372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).