2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one

C21H26FN5O — CID 135839117

IUPAC2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCCCCc1nc2c3n(c(=O)n(CCC)c-2n1)CC(Cc1ccc(F)cc1)N3
InChIInChI=1S/C21H26FN5O/c1-3-5-6-17-24-18-19-23-16(12-14-7-9-15(22)10-8-14)13-27(19)21(28)26(11-4-2)20(18)25-17/h7-10,16,23H,3-6,11-13H2,1-2H3
InChIKeyQKYDBWYYIANBRR-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.47
Rot. Bonds7

About 2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one

2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (PubChem CID 135839117) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
PubChem CID135839117
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCCCCc1nc2c3n(c(=O)n(CCC)c-2n1)CC(Cc1ccc(F)cc1)N3
InChIInChI=1S/C21H26FN5O/c1-3-5-6-17-24-18-19-23-16(12-14-7-9-15(22)10-8-14)13-27(19)21(28)26(11-4-2)20(18)25-17/h7-10,16,23H,3-6,11-13H2,1-2H3
InChIKeyQKYDBWYYIANBRR-UHFFFAOYSA-N
XLogP3.47
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one with MolForge

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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
Psb 11 hydrochloride
CID 135665262
N-[(3-Fluorophenyl)methyl]-4-{3-methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}piperazine-1-carboxamide
CID 53184244
4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(4-fluorobenzyl)tetrahydro-1(2H)-pyrazinecarboxamide
CID 53184332

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The IUPAC name of 2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (CID 135839117) is 2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for 2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for 2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is CCCCc1nc2c3n(c(=O)n(CCC)c-2n1)CC(Cc1ccc(F)cc1)N3.
What is the InChIKey of 2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The InChIKey is QKYDBWYYIANBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-3-5-6-17-24-18-19-23-16(12-14-7-9-15(22)10-8-14)13-27(19)21(28)26(11-4-2)20(18)25-17/h7-10,16,23H,3-6,11-13H2,1-2H3.
What are the key properties of 2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one has a molecular weight of 383.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is sourced from PubChem (CID 135839117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).