8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine

C23H23N5O — CID 19911816

IUPAC8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine
SMILESCCCOC1=Nc2c(ncn2-c2ccccc2)C2=NC(Cc3ccccc3)CN12
InChIInChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(24-16-28(22)19-11-7-4-8-12-19)21-25-18(15-27(21)23)14-17-9-5-3-6-10-17/h3-12,16,18H,2,13-15H2,1H3
InChIKeyJXRGBAIKUGLKHS-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.97
Rot. Bonds5

About 8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine

8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine (PubChem CID 19911816) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine.

Molecular Properties

Compound Name8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine
PubChem CID19911816
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine
SMILESCCCOC1=Nc2c(ncn2-c2ccccc2)C2=NC(Cc3ccccc3)CN12
InChIInChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(24-16-28(22)19-11-7-4-8-12-19)21-25-18(15-27(21)23)14-17-9-5-3-6-10-17/h3-12,16,18H,2,13-15H2,1H3
InChIKeyJXRGBAIKUGLKHS-UHFFFAOYSA-N
XLogP3.97
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine?
The IUPAC name of 8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine (CID 19911816) is 8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine.
What is the SMILES notation for 8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine?
The canonical SMILES for 8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine is CCCOC1=Nc2c(ncn2-c2ccccc2)C2=NC(Cc3ccccc3)CN12.
What is the InChIKey of 8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine?
The InChIKey is JXRGBAIKUGLKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-2-13-29-23-26-22-20(24-16-28(22)19-11-7-4-8-12-19)21-25-18(15-27(21)23)14-17-9-5-3-6-10-17/h3-12,16,18H,2,13-15H2,1H3.
What are the key properties of 8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine?
8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine has a molecular weight of 385.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-phenyl-5-propoxy-7,8-dihydroimidazo[2,1-f]purine is sourced from PubChem (CID 19911816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).