2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide

C18H20N4O3S — CID 8823029

IUPAC2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide
SMILESCC(C)c1ccc(S(=O)(=O)NNC(=O)Cn2cnc3ccccc32)cc1
InChIInChI=1S/C18H20N4O3S/c1-13(2)14-7-9-15(10-8-14)26(24,25)21-20-18(23)11-22-12-19-16-5-3-4-6-17(16)22/h3-10,12-13,21H,11H2,1-2H3,(H,20,23)
InChIKeyBYOXIQAZZZUHLZ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.17
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide

2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide (PubChem CID 8823029) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide
PubChem CID8823029
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide
SMILESCC(C)c1ccc(S(=O)(=O)NNC(=O)Cn2cnc3ccccc32)cc1
InChIInChI=1S/C18H20N4O3S/c1-13(2)14-7-9-15(10-8-14)26(24,25)21-20-18(23)11-22-12-19-16-5-3-4-6-17(16)22/h3-10,12-13,21H,11H2,1-2H3,(H,20,23)
InChIKeyBYOXIQAZZZUHLZ-UHFFFAOYSA-N
XLogP2.17
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide
CID 8823013
ethyl 4-[[[2-(benzimidazol-1-yl)acetyl]amino]sulfamoyl]benzoate
CID 8823036
2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8823056
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
2-(2-nitrophenyl)sulfanyl-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide
CID 2818604
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide
CID 65315452
4-[[2-(benzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81064314
N-(benzimidazol-1-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 34334460
2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2437108
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide (CID 8823029) is 2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide is CC(C)c1ccc(S(=O)(=O)NNC(=O)Cn2cnc3ccccc32)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide?
The InChIKey is BYOXIQAZZZUHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-13(2)14-7-9-15(10-8-14)26(24,25)21-20-18(23)11-22-12-19-16-5-3-4-6-17(16)22/h3-10,12-13,21H,11H2,1-2H3,(H,20,23).
What are the key properties of 2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide?
2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide has a molecular weight of 372.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N'-(4-propan-2-ylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8823029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).