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

C16H16BrN5O — CID 135409562

IUPAC2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCCCn1c2nc(-c3ccc(Br)cc3)nc-2c2n(c1=O)CCN2
InChIInChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6,18H,2,7-9H2,1H3
InChIKeyOPUXIXJLNLMIKY-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.81
Rot. Bonds3

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

2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (PubChem CID 135409562) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
PubChem CID135409562
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC Name2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCCCn1c2nc(-c3ccc(Br)cc3)nc-2c2n(c1=O)CCN2
InChIInChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6,18H,2,7-9H2,1H3
InChIKeyOPUXIXJLNLMIKY-UHFFFAOYSA-N
XLogP2.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
(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
2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 135839099
5-amino-4-[(4-bromo-3-fluorophenyl)methylamino]-6-methyl-1H-pyrimidin-2-one
CID 138701139
3-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropyl-1-[(3R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]urea
CID 168958300
2-(4-bromophenyl)-8-ethyl-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
CID 135572280

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The IUPAC name of 2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (CID 135409562) is 2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for 2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is CCCn1c2nc(-c3ccc(Br)cc3)nc-2c2n(c1=O)CCN2.
What is the InChIKey of 2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The InChIKey is OPUXIXJLNLMIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6,18H,2,7-9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one has a molecular weight of 374.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is sourced from PubChem (CID 135409562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).