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

C18H20BrN5O — CID 135572280

IUPAC2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCCCn1c2nc(-c3ccc(Br)cc3)nc-2c2n(c1=O)CC(CC)N2
InChIInChI=1S/C18H20BrN5O/c1-3-9-23-17-14(16-20-13(4-2)10-24(16)18(23)25)21-15(22-17)11-5-7-12(19)8-6-11/h5-8,13,20H,3-4,9-10H2,1-2H3
InChIKeyAWIYFKPBAKKEIX-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.59
Rot. Bonds4

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

2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (PubChem CID 135572280) has the molecular formula C18H20BrN5O and a molecular weight of 402.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
PubChem CID135572280
Molecular FormulaC18H20BrN5O
Molecular Weight402.30 g/mol
Exact Mass401.09
IUPAC Name2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCCCn1c2nc(-c3ccc(Br)cc3)nc-2c2n(c1=O)CC(CC)N2
InChIInChI=1S/C18H20BrN5O/c1-3-9-23-17-14(16-20-13(4-2)10-24(16)18(23)25)21-15(22-17)11-5-7-12(19)8-6-11/h5-8,13,20H,3-4,9-10H2,1-2H3
InChIKeyAWIYFKPBAKKEIX-UHFFFAOYSA-N
XLogP3.59
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5H-Imidazo(2,1-i)purin-5-one, 2-(4-bromophenyl)-1,4,7,8-tetrahydro-4-propyl-
CID 135409562
8-Ethyl-4-methyl-2-phenyl-3,4,7,8-tetrahydro-5H-imidazo[2,1-i]purin-5-one
CID 135921139
(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
(S)-8-Ethyl-4-methyl-2-phenyl-3,4,7,8-tetrahydro-5H-imidazo[2,1-i]purin-5-one
CID 136000584
(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
8-ethyl-4-methyl-2-phenyl-2,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one
CID 91382346
2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-3a,7,8,9-tetrahydro-1H-imidazo[2,1-f]purin-5-one
CID 91077301
D7Pje3R7LS
CID 135504694
2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 135839099
2-butyl-8-[(4-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 135839117

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The IUPAC name of 2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (CID 135572280) is 2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for 2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is CCCn1c2nc(-c3ccc(Br)cc3)nc-2c2n(c1=O)CC(CC)N2.
What is the InChIKey of 2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The InChIKey is AWIYFKPBAKKEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O/c1-3-9-23-17-14(16-20-13(4-2)10-24(16)18(23)25)21-15(22-17)11-5-7-12(19)8-6-11/h5-8,13,20H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one has a molecular weight of 402.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is sourced from PubChem (CID 135572280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).