2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one

C10H8N6O — CID 137210107

IUPAC2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1N=Nc1nc2ccccc2[nH]1
InChIInChI=1S/C10H8N6O/c17-9-5-6-11-16(9)15-14-10-12-7-3-1-2-4-8(7)13-10/h1-6,11H,(H,12,13)
InChIKeyIONKPCFSPTZYTC-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.60
Rot. Bonds2

About 2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one

2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one (PubChem CID 137210107) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one
PubChem CID137210107
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1N=Nc1nc2ccccc2[nH]1
InChIInChI=1S/C10H8N6O/c17-9-5-6-11-16(9)15-14-10-12-7-3-1-2-4-8(7)13-10/h1-6,11H,(H,12,13)
InChIKeyIONKPCFSPTZYTC-UHFFFAOYSA-N
XLogP1.60
TPSA91.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one 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

N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine
CID 137249906
3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-1H-quinoxalin-2-one
CID 14493371
CID 175276367
CID 175276367
N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine
CID 23341799
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide
CID 137229351
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol
CID 3655965
2-methyl-1H-benzimidazole
CID 11984
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
3-(azidomethyl)-1H-quinoxalin-2-one
CID 55137763

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one (CID 137210107) is 2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one is O=c1cc[nH]n1N=Nc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one?
The InChIKey is IONKPCFSPTZYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c17-9-5-6-11-16(9)15-14-10-12-7-3-1-2-4-8(7)13-10/h1-6,11H,(H,12,13).
What are the key properties of 2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one?
2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one has a molecular weight of 228.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yldiazenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 137210107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).