(8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride

C24H26ClN5O — CID 69361091

IUPAC(8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride
SMILESCCCN1C(=O)N2C[C@@H](Cc3ccccc3)N=C2c2c1ncn2Cc1ccccc1.Cl
InChIInChI=1S/C24H25N5O.ClH/c1-2-13-28-22-21(27(17-25-22)15-19-11-7-4-8-12-19)23-26-20(16-29(23)24(28)30)14-18-9-5-3-6-10-18;/h3-12,17,20H,2,13-16H2,1H3;1H/t20-;/m1./s1
InChIKeyIFEMLLGLRUTFJF-VEIFNGETSA-N
MW435.96 g/mol
LogP4.38
Rot. Bonds6

About (8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride

(8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride (PubChem CID 69361091) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is (8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride.

Molecular Properties

Compound Name(8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride
PubChem CID69361091
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name(8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride
SMILESCCCN1C(=O)N2C[C@@H](Cc3ccccc3)N=C2c2c1ncn2Cc1ccccc1.Cl
InChIInChI=1S/C24H25N5O.ClH/c1-2-13-28-22-21(27(17-25-22)15-19-11-7-4-8-12-19)23-26-20(16-29(23)24(28)30)14-18-9-5-3-6-10-18;/h3-12,17,20H,2,13-16H2,1H3;1H/t20-;/m1./s1
InChIKeyIFEMLLGLRUTFJF-VEIFNGETSA-N
XLogP4.38
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride?
The IUPAC name of (8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride (CID 69361091) is (8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride.
What is the SMILES notation for (8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride?
The canonical SMILES for (8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride is CCCN1C(=O)N2C[C@@H](Cc3ccccc3)N=C2c2c1ncn2Cc1ccccc1.Cl.
What is the InChIKey of (8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride?
The InChIKey is IFEMLLGLRUTFJF-VEIFNGETSA-N. The full InChI is InChI=1S/C24H25N5O.ClH/c1-2-13-28-22-21(27(17-25-22)15-19-11-7-4-8-12-19)23-26-20(16-29(23)24(28)30)14-18-9-5-3-6-10-18;/h3-12,17,20H,2,13-16H2,1H3;1H/t20-;/m1./s1.
What are the key properties of (8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride?
(8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride has a molecular weight of 435.96 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-1,8-dibenzyl-4-propyl-7,8-dihydroimidazo[2,1-f]purin-5-one;hydrochloride is sourced from PubChem (CID 69361091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).