N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide

C26H25N5O3S — CID 46525583

IUPACN-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H25N5O3S/c1-17(27-24(33)19-7-3-2-4-8-19)15-23(32)30-31-25(34)20-13-11-18(12-14-20)16-35-26-28-21-9-5-6-10-22(21)29-26/h2-14,17H,15-16H2,1H3,(H,27,33)(H,28,29)(H,30,32)(H,31,34)
InChIKeyYYSXRIDLUJSIFT-UHFFFAOYSA-N
MW487.59 g/mol
LogP3.82
Rot. Bonds8

About N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide

N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide (PubChem CID 46525583) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
PubChem CID46525583
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC NameN-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H25N5O3S/c1-17(27-24(33)19-7-3-2-4-8-19)15-23(32)30-31-25(34)20-13-11-18(12-14-20)16-35-26-28-21-9-5-6-10-22(21)29-26/h2-14,17H,15-16H2,1H3,(H,27,33)(H,28,29)(H,30,32)(H,31,34)
InChIKeyYYSXRIDLUJSIFT-UHFFFAOYSA-N
XLogP3.82
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide 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'-(4-phenylbutanoyl)benzohydrazide
CID 46472312
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-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683302
N-[2-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24647425
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide
CID 29410898
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-[(2R)-2-(3-methylphenoxy)propanoyl]benzohydrazide
CID 2513761
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 2088527
4-acetyl-N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 29410939
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24542842
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 18287085
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-4-ethylthiadiazole-5-carbohydrazide
CID 29411110

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide (CID 46525583) is N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide is CC(CC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide?
The InChIKey is YYSXRIDLUJSIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-17(27-24(33)19-7-3-2-4-8-19)15-23(32)30-31-25(34)20-13-11-18(12-14-20)16-35-26-28-21-9-5-6-10-22(21)29-26/h2-14,17H,15-16H2,1H3,(H,27,33)(H,28,29)(H,30,32)(H,31,34).
What are the key properties of N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide?
N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide has a molecular weight of 487.59 g/mol, XLogP of 3.82, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 46525583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).