N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide

C22H26N6O4S — CID 43070412

IUPACN'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide
SMILESCC(C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)n1cnc2ccccc21
InChIInChI=1S/C22H26N6O4S/c1-16(28-15-23-19-5-3-4-6-20(19)28)21(29)24-25-22(30)17-7-9-18(10-8-17)33(31,32)27-13-11-26(2)12-14-27/h3-10,15-16H,11-14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyXFUFXWZRLNGKNL-UHFFFAOYSA-N
MW470.56 g/mol
LogP0.99
Rot. Bonds5

About N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide

N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide (PubChem CID 43070412) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide
PubChem CID43070412
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC NameN'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide
SMILESCC(C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)n1cnc2ccccc21
InChIInChI=1S/C22H26N6O4S/c1-16(28-15-23-19-5-3-4-6-20(19)28)21(29)24-25-22(30)17-7-9-18(10-8-17)33(31,32)27-13-11-26(2)12-14-27/h3-10,15-16H,11-14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyXFUFXWZRLNGKNL-UHFFFAOYSA-N
XLogP0.99
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(benzimidazol-1-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46429428
3-[[2-(benzimidazol-1-yl)propanoylamino]carbamoyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 43070364
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
N'-(3,3-dimethylbutanoyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide
CID 25478585
[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]urea
CID 24634910
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-propan-2-ylbenzamide
CID 17177406
N-[1-oxo-1-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propan-2-yl]cyclopropanecarboxamide
CID 42952930
(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 39059871
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-propan-2-yloxybenzamide
CID 4951892
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide
CID 18270283
4-(4-methylpiperazin-1-yl)sulfonyl-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
CID 26011944
ethyl 4-[4-[3-(benzimidazol-1-yl)propylcarbamoyl]piperazin-1-yl]sulfonylbenzoate
CID 55457895

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide?
The IUPAC name of N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide (CID 43070412) is N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide is CC(C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)n1cnc2ccccc21.
What is the InChIKey of N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide?
The InChIKey is XFUFXWZRLNGKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S/c1-16(28-15-23-19-5-3-4-6-20(19)28)21(29)24-25-22(30)17-7-9-18(10-8-17)33(31,32)27-13-11-26(2)12-14-27/h3-10,15-16H,11-14H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide?
N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide has a molecular weight of 470.56 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzimidazol-1-yl)propanoyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 43070412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).