3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide

C24H26N6O4 — CID 24532217

IUPAC3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide
SMILESCCCn1c(=O)n(CCC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H26N6O4/c1-3-14-28-18-11-7-8-12-19(18)29(24(28)34)15-13-20(31)25-26-22(32)21-16-9-5-6-10-17(16)23(33)30(4-2)27-21/h5-12H,3-4,13-15H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyALXPIHYAMHMIML-UHFFFAOYSA-N
MW462.51 g/mol
LogP1.79
Rot. Bonds7

About 3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide

3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide (PubChem CID 24532217) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide
PubChem CID24532217
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide
SMILESCCCn1c(=O)n(CCC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c2ccccc21
InChIInChI=1S/C24H26N6O4/c1-3-14-28-18-11-7-8-12-19(18)29(24(28)34)15-13-20(31)25-26-22(32)21-16-9-5-6-10-17(16)23(33)30(4-2)27-21/h5-12H,3-4,13-15H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyALXPIHYAMHMIML-UHFFFAOYSA-N
XLogP1.79
TPSA120.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
3-ethyl-4-oxo-N'-(3-phenylsulfanylpropanoyl)phthalazine-1-carbohydrazide
CID 7979969
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
2-fluoro-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]benzohydrazide
CID 27019412
N'-(4-cyclohexylbutanoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979954
N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 4806035
N'-[3-(2,4-dichlorophenyl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 46577629
N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4822586
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979951
N'-[3-(1H-benzimidazol-2-yl)propanoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 27450251
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7969430
4-oxo-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566522

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide?
The IUPAC name of 3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide (CID 24532217) is 3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide.
What is the SMILES notation for 3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide?
The canonical SMILES for 3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide is CCCn1c(=O)n(CCC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c2ccccc21.
What is the InChIKey of 3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide?
The InChIKey is ALXPIHYAMHMIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-3-14-28-18-11-7-8-12-19(18)29(24(28)34)15-13-20(31)25-26-22(32)21-16-9-5-6-10-17(16)23(33)30(4-2)27-21/h5-12H,3-4,13-15H2,1-2H3,(H,25,31)(H,26,32).
What are the key properties of 3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide?
3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide has a molecular weight of 462.51 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-oxo-N'-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]phthalazine-1-carbohydrazide is sourced from PubChem (CID 24532217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).