(8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one

C22H27N5O — CID 135504694

IUPAC(8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCCCn1c2nc(C3CCCC3)nc-2c2n(c1=O)C[C@@H](Cc1ccccc1)N2
InChIInChI=1S/C22H27N5O/c1-2-12-26-21-18(24-19(25-21)16-10-6-7-11-16)20-23-17(14-27(20)22(26)28)13-15-8-4-3-5-9-15/h3-5,8-9,16-17,23H,2,6-7,10-14H2,1H3/t17-/m1/s1
InChIKeyNFIRZRNTNRONFS-QGZVFWFLSA-N
MW377.49 g/mol
LogP3.65
Rot. Bonds5

About (8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one

(8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (PubChem CID 135504694) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is (8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name(8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
PubChem CID135504694
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name(8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCCCn1c2nc(C3CCCC3)nc-2c2n(c1=O)C[C@@H](Cc1ccccc1)N2
InChIInChI=1S/C22H27N5O/c1-2-12-26-21-18(24-19(25-21)16-10-6-7-11-16)20-23-17(14-27(20)22(26)28)13-15-8-4-3-5-9-15/h3-5,8-9,16-17,23H,2,6-7,10-14H2,1H3/t17-/m1/s1
InChIKeyNFIRZRNTNRONFS-QGZVFWFLSA-N
XLogP3.65
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one with MolForge

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Launch Full Analysis

Related Compounds

8-Ethyl-4-methyl-2-phenyl-3,4,7,8-tetrahydro-5H-imidazo[2,1-i]purin-5-one
CID 135921139
6-Amino-9-benzyl-1,7-dihydropurine-2,8-dione
CID 11230625
(8R)-8-ethyl-4-methyl-2-phenyl-3a,7,8,9b-tetrahydro-1H-imidazo[2,1-f]purin-5-one
CID 168274222
(R)-8-Ethyl-4-methyl-2-phenyl-3,4,7,8-tetrahydro-5H-imidazo[2,1-i]purin-5-one
CID 135433658
1-methyl-2-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 135921140
(8R)-8-ethyl-4-methyl-2-[(E)-2-phenylethenyl]-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 136000583
(S)-8-Ethyl-4-methyl-2-phenyl-3,4,7,8-tetrahydro-5H-imidazo[2,1-i]purin-5-one
CID 136000584
(8S)-8-ethyl-4-methyl-2-[(E)-2-phenylethenyl]-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 136000715
(8R)-8-ethyl-4-methyl-2-(2,3,5-tritritiophenyl)-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 136026182
(6S,9S,12S)-9-benzyl-12-(2-methylpropyl)-6-propan-2-yl-4,7,10,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3-diene
CID 122181055
Psb 11 hydrochloride
CID 135665262
"4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-phenethyltetrahydro-1(2H)-pyrazinecarboxamide"
CID 53184238

Frequently Asked Questions

What is the IUPAC name of (8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The IUPAC name of (8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (CID 135504694) is (8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for (8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for (8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is CCCn1c2nc(C3CCCC3)nc-2c2n(c1=O)C[C@@H](Cc1ccccc1)N2.
What is the InChIKey of (8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The InChIKey is NFIRZRNTNRONFS-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N5O/c1-2-12-26-21-18(24-19(25-21)16-10-6-7-11-16)20-23-17(14-27(20)22(26)28)13-15-8-4-3-5-9-15/h3-5,8-9,16-17,23H,2,6-7,10-14H2,1H3/t17-/m1/s1.
What are the key properties of (8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
(8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one has a molecular weight of 377.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-benzyl-2-cyclopentyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is sourced from PubChem (CID 135504694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).