N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide

C20H16N6O3S — CID 29410898

IUPACN'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(=O)[nH]n1)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H16N6O3S/c27-17-10-9-16(23-24-17)19(29)26-25-18(28)13-7-5-12(6-8-13)11-30-20-21-14-3-1-2-4-15(14)22-20/h1-10H,11H2,(H,21,22)(H,24,27)(H,25,28)(H,26,29)
InChIKeyBLYNOEQXOVPMHK-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.01
Rot. Bonds5

About N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide

N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide (PubChem CID 29410898) has the molecular formula C20H16N6O3S and a molecular weight of 420.45 g/mol. Its IUPAC name is N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide
PubChem CID29410898
Molecular FormulaC20H16N6O3S
Molecular Weight420.45 g/mol
Exact Mass420.10
IUPAC NameN'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(=O)[nH]n1)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H16N6O3S/c27-17-10-9-16(23-24-17)19(29)26-25-18(28)13-7-5-12(6-8-13)11-30-20-21-14-3-1-2-4-15(14)22-20/h1-10H,11H2,(H,21,22)(H,24,27)(H,25,28)(H,26,29)
InChIKeyBLYNOEQXOVPMHK-UHFFFAOYSA-N
XLogP2.01
TPSA132.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide
CID 78774579
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-5-methylfuran-2-carbohydrazide
CID 29410900
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(4-phenylbutanoyl)benzohydrazide
CID 46472312
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 2088527
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 18287085
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide
CID 24513951
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide
CID 42905169
4-acetyl-N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 29410939
N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 46525583
N-[2-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24647425
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-4-ethylthiadiazole-5-carbohydrazide
CID 29411110
N'-[3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]-4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide
CID 2412655

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide?
The IUPAC name of N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide (CID 29410898) is N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide.
What is the SMILES notation for N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide?
The canonical SMILES for N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide is O=C(NNC(=O)c1ccc(=O)[nH]n1)c1ccc(CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide?
The InChIKey is BLYNOEQXOVPMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3S/c27-17-10-9-16(23-24-17)19(29)26-25-18(28)13-7-5-12(6-8-13)11-30-20-21-14-3-1-2-4-15(14)22-20/h1-10H,11H2,(H,21,22)(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide?
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide has a molecular weight of 420.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide is sourced from PubChem (CID 29410898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).