N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide

C19H15N5O2 — CID 10450244

IUPACN-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide
SMILESO=C(Nc1ncnc2c1[nH]c(=O)n2Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15N5O2/c25-18(14-9-5-2-6-10-14)23-16-15-17(21-12-20-16)24(19(26)22-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,22,26)(H,20,21,23,25)
InChIKeyUOLMCIQLCDIIKU-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.42
Rot. Bonds4

About N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide

N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide (PubChem CID 10450244) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide.

Molecular Properties

Compound NameN-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide
PubChem CID10450244
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide
SMILESO=C(Nc1ncnc2c1[nH]c(=O)n2Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H15N5O2/c25-18(14-9-5-2-6-10-14)23-16-15-17(21-12-20-16)24(19(26)22-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,22,26)(H,20,21,23,25)
InChIKeyUOLMCIQLCDIIKU-UHFFFAOYSA-N
XLogP2.42
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzyl-6-phenoxy-7H-purin-8-one
CID 141247328
N-(9-benzyl-2-butoxy-8-oxo-7H-purin-6-yl)acetamide
CID 59601754
1-benzyl-2-oxo-N-(7H-purin-6-yl)-1,8-naphthyridine-3-carboxamide
CID 7620340
6-amino-9-benzyl-N-methyl-8-oxo-7H-purine-2-carboxamide
CID 11977603
6-amino-9-benzyl-N-ethyl-8-oxo-7H-purine-2-carboxamide
CID 11977604
6-amino-9-benzyl-2-(benzylamino)-7H-purin-8-one;N-[9-benzyl-2-(benzylamino)-8-oxo-7H-purin-6-yl]acetamide;ethane;molecular iodine
CID 90852703
N-[7-(4-hydroxybutyl)pyrrolo[2,3-d]pyrimidin-4-yl]benzamide
CID 170104162
N-(9-benzyl-8-oxo-2-propylsulfinyl-7H-purin-6-yl)pentanamide
CID 122671767
2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)oxy]acetic acid
CID 59382538
N-[1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]benzamide
CID 59633481
N-[9-(3-methylhexan-3-yl)purin-6-yl]benzamide
CID 174164210
(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)methylphosphonic acid
CID 11771998

Frequently Asked Questions

What is the IUPAC name of N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide?
The IUPAC name of N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide (CID 10450244) is N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide.
What is the SMILES notation for N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide?
The canonical SMILES for N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide is O=C(Nc1ncnc2c1[nH]c(=O)n2Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide?
The InChIKey is UOLMCIQLCDIIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-18(14-9-5-2-6-10-14)23-16-15-17(21-12-20-16)24(19(26)22-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,22,26)(H,20,21,23,25).
What are the key properties of N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide?
N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide has a molecular weight of 345.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide is sourced from PubChem (CID 10450244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).