N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide

C20H22N4O3S — CID 134581339

IUPACN'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)C1CCCCC1)c1cc(-c2ccccc2)cc2[nH]cnc12
InChIInChI=1S/C20H22N4O3S/c25-20(23-24-28(26,27)16-9-5-2-6-10-16)17-11-15(14-7-3-1-4-8-14)12-18-19(17)22-13-21-18/h1,3-4,7-8,11-13,16,24H,2,5-6,9-10H2,(H,21,22)(H,23,25)
InChIKeyXXABWDAFZMCWJE-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.13
Rot. Bonds5

About N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide

N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide (PubChem CID 134581339) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide
PubChem CID134581339
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)C1CCCCC1)c1cc(-c2ccccc2)cc2[nH]cnc12
InChIInChI=1S/C20H22N4O3S/c25-20(23-24-28(26,27)16-9-5-2-6-10-16)17-11-15(14-7-3-1-4-8-14)12-18-19(17)22-13-21-18/h1,3-4,7-8,11-13,16,24H,2,5-6,9-10H2,(H,21,22)(H,23,25)
InChIKeyXXABWDAFZMCWJE-UHFFFAOYSA-N
XLogP3.13
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide?
The IUPAC name of N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide (CID 134581339) is N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide.
What is the SMILES notation for N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide?
The canonical SMILES for N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide is O=C(NNS(=O)(=O)C1CCCCC1)c1cc(-c2ccccc2)cc2[nH]cnc12.
What is the InChIKey of N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide?
The InChIKey is XXABWDAFZMCWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-20(23-24-28(26,27)16-9-5-2-6-10-16)17-11-15(14-7-3-1-4-8-14)12-18-19(17)22-13-21-18/h1,3-4,7-8,11-13,16,24H,2,5-6,9-10H2,(H,21,22)(H,23,25).
What are the key properties of N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide?
N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide has a molecular weight of 398.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexylsulfonyl-6-phenyl-1H-benzimidazole-4-carbohydrazide is sourced from PubChem (CID 134581339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).