4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one

C14H13N5O — CID 135749799

IUPAC4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESO=c1n(Cc2ccccc2)c2ncnc-2c2n1CCN2
InChIInChI=1S/C14H13N5O/c20-14-18-7-6-15-12(18)11-13(17-9-16-11)19(14)8-10-4-2-1-3-5-10/h1-5,9,15H,6-8H2
InChIKeyJXMNGJYBTCMZPA-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.02
Rot. Bonds2

About 4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one

4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (PubChem CID 135749799) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
PubChem CID135749799
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one
SMILESO=c1n(Cc2ccccc2)c2ncnc-2c2n1CCN2
InChIInChI=1S/C14H13N5O/c20-14-18-7-6-15-12(18)11-13(17-9-16-11)19(14)8-10-4-2-1-3-5-10/h1-5,9,15H,6-8H2
InChIKeyJXMNGJYBTCMZPA-UHFFFAOYSA-N
XLogP1.02
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzylimidazo[4,5-b]pyridine
CID 10035996
11-benzyl-9-butyl-3,6,7,9,11-pentazatricyclo[6.4.0.02,6]dodeca-1,7-diene-10,12-dione
CID 135778497
3,7-dibenzyl-8,9-dihydropurin-2-one
CID 69157659
11-benzyl-5-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 71523881
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one
CID 71731166
1,3-dibenzylpteridine-2,4-dione
CID 13328593
(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
4-benzyl-1,2,4-thiadiazolidine-3,5-dione
CID 22507205
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
1-(1-benzylpyrazol-3-yl)-1,4-diazepan-5-one
CID 126655465
7-benzyl-9-methyl-6-piperazin-1-ylpurin-8-one;2,2,2-trifluoroacetic acid
CID 68823241

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The IUPAC name of 4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one (CID 135749799) is 4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one.
What is the SMILES notation for 4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The canonical SMILES for 4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is O=c1n(Cc2ccccc2)c2ncnc-2c2n1CCN2.
What is the InChIKey of 4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
The InChIKey is JXMNGJYBTCMZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-14-18-7-6-15-12(18)11-13(17-9-16-11)19(14)8-10-4-2-1-3-5-10/h1-5,9,15H,6-8H2.
What are the key properties of 4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one?
4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one has a molecular weight of 267.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8,9-dihydro-7H-imidazo[2,1-f]purin-5-one is sourced from PubChem (CID 135749799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).