3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide

C23H17N5O3 — CID 26683211

IUPAC3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H17N5O3/c29-21(24-15-10-11-18-19(12-15)26-23(31)25-18)20-16-8-4-5-9-17(16)22(30)28(27-20)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,29)(H2,25,26,31)
InChIKeyXWPUMLLKQFLGOG-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.87
Rot. Bonds4

About 3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide

3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide (PubChem CID 26683211) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide
PubChem CID26683211
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC Name3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H17N5O3/c29-21(24-15-10-11-18-19(12-15)26-23(31)25-18)20-16-8-4-5-9-17(16)22(30)28(27-20)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,29)(H2,25,26,31)
InChIKeyXWPUMLLKQFLGOG-UHFFFAOYSA-N
XLogP2.87
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
CID 2714733
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509958
N~1~-(1,3-dimethyl-2-oxo-6-piperidino-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-2-methylbenzamide
CID 15990226
3-ethyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
CID 24686495
N-[4-[(2-aminophenyl)carbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509817
2-(2-Amino-5-piperidin-1-ylphenyl)-4-methylphthalazin-1-one
CID 953983
N-[1,3-Diethyl-2-oxo-6-(pyrrolidin-1-YL)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2-methylbenzamide
CID 24789796
3-butyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
CID 25162131
N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 90284214
4-[4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
CID 139531393
4-[4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl]-2H-phthalazin-1-one
CID 139531418
4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzamide
CID 16476212

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide (CID 26683211) is 3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide?
The InChIKey is XWPUMLLKQFLGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3/c29-21(24-15-10-11-18-19(12-15)26-23(31)25-18)20-16-8-4-5-9-17(16)22(30)28(27-20)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,29)(H2,25,26,31).
What are the key properties of 3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide?
3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phthalazine-1-carboxamide is sourced from PubChem (CID 26683211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).