2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide

C18H18N4O3S — CID 8823056

IUPAC2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
SMILESO=C(Cn1cnc2ccccc21)NNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H18N4O3S/c23-18(11-22-12-19-16-6-1-2-7-17(16)22)20-21-26(24,25)15-9-8-13-4-3-5-14(13)10-15/h1-2,6-10,12,21H,3-5,11H2,(H,20,23)
InChIKeyOKVZFZLRFXCKST-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.53
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide

2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide (PubChem CID 8823056) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
PubChem CID8823056
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
SMILESO=C(Cn1cnc2ccccc21)NNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H18N4O3S/c23-18(11-22-12-19-16-6-1-2-7-17(16)22)20-21-26(24,25)15-9-8-13-4-3-5-14(13)10-15/h1-2,6-10,12,21H,3-5,11H2,(H,20,23)
InChIKeyOKVZFZLRFXCKST-UHFFFAOYSA-N
XLogP1.53
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.53
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
N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 35984118
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8614282
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8614390
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole
CID 934444
2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8506094
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4827990
3-phenyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)imidazole-4-carbohydrazide
CID 17433853
N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 78809678

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide?
The IUPAC name of 2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide (CID 8823056) is 2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide is O=C(Cn1cnc2ccccc21)NNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide?
The InChIKey is OKVZFZLRFXCKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-18(11-22-12-19-16-6-1-2-7-17(16)22)20-21-26(24,25)15-9-8-13-4-3-5-14(13)10-15/h1-2,6-10,12,21H,3-5,11H2,(H,20,23).
What are the key properties of 2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide?
2-(benzimidazol-1-yl)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide has a molecular weight of 370.43 g/mol, XLogP of 1.53, 5 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'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide is sourced from PubChem (CID 8823056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).