2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one

C23H21BrFN5O — CID 135839099

IUPAC2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCCCn1c2nc(-c3ccc(Br)cc3)nc-2c2n(c1=O)CC(Cc1cccc(F)c1)N2
InChIInChI=1S/C23H21BrFN5O/c1-2-10-29-22-19(27-20(28-22)15-6-8-16(24)9-7-15)21-26-18(13-30(21)23(29)31)12-14-4-3-5-17(25)11-14/h3-9,11,18,26H,2,10,12-13H2,1H3
InChIKeyGQDMVSONCMPRMY-UHFFFAOYSA-N
MW482.36 g/mol
LogP4.56
Rot. Bonds5

About 2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one

2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (PubChem CID 135839099) has the molecular formula C23H21BrFN5O and a molecular weight of 482.36 g/mol. Its IUPAC name is 2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
PubChem CID135839099
Molecular FormulaC23H21BrFN5O
Molecular Weight482.36 g/mol
Exact Mass481.09
IUPAC Name2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESCCCn1c2nc(-c3ccc(Br)cc3)nc-2c2n(c1=O)CC(Cc1cccc(F)c1)N2
InChIInChI=1S/C23H21BrFN5O/c1-2-10-29-22-19(27-20(28-22)15-6-8-16(24)9-7-15)21-26-18(13-30(21)23(29)31)12-14-4-3-5-17(25)11-14/h3-9,11,18,26H,2,10,12-13H2,1H3
InChIKeyGQDMVSONCMPRMY-UHFFFAOYSA-N
XLogP4.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The IUPAC name of 2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (CID 135839099) is 2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for 2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is CCCn1c2nc(-c3ccc(Br)cc3)nc-2c2n(c1=O)CC(Cc1cccc(F)c1)N2.
What is the InChIKey of 2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The InChIKey is GQDMVSONCMPRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrFN5O/c1-2-10-29-22-19(27-20(28-22)15-6-8-16(24)9-7-15)21-26-18(13-30(21)23(29)31)12-14-4-3-5-17(25)11-14/h3-9,11,18,26H,2,10,12-13H2,1H3.
What are the key properties of 2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one has a molecular weight of 482.36 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-8-[(3-fluorophenyl)methyl]-4-propyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is sourced from PubChem (CID 135839099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).