7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride

C15H14ClN4O- — CID 135871441

IUPAC7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride
SMILESCCc1ccc(/N=N/c2ccc(O)c3[nH]cnc23)cc1.[Cl-]
InChIInChI=1S/C15H14N4O.ClH/c1-2-10-3-5-11(6-4-10)18-19-12-7-8-13(20)15-14(12)16-9-17-15;/h3-9,20H,2H2,1H3,(H,16,17);1H/p-1/b19-18+;
InChIKeyYSNBHEWXGUIAPM-LTRPLHCISA-M
MW301.76 g/mol
LogP1.25
Rot. Bonds3

About 7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride

7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride (PubChem CID 135871441) has the molecular formula C15H14ClN4O- and a molecular weight of 301.76 g/mol. Its IUPAC name is 7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride.

Molecular Properties

Compound Name7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride
PubChem CID135871441
Molecular FormulaC15H14ClN4O-
Molecular Weight301.76 g/mol
Exact Mass301.09
IUPAC Name7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride
SMILESCCc1ccc(/N=N/c2ccc(O)c3[nH]cnc23)cc1.[Cl-]
InChIInChI=1S/C15H14N4O.ClH/c1-2-10-3-5-11(6-4-10)18-19-12-7-8-13(20)15-14(12)16-9-17-15;/h3-9,20H,2H2,1H3,(H,16,17);1H/p-1/b19-18+;
InChIKeyYSNBHEWXGUIAPM-LTRPLHCISA-M
XLogP1.25
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride?
The IUPAC name of 7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride (CID 135871441) is 7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride.
What is the SMILES notation for 7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride?
The canonical SMILES for 7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride is CCc1ccc(/N=N/c2ccc(O)c3[nH]cnc23)cc1.[Cl-].
What is the InChIKey of 7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride?
The InChIKey is YSNBHEWXGUIAPM-LTRPLHCISA-M. The full InChI is InChI=1S/C15H14N4O.ClH/c1-2-10-3-5-11(6-4-10)18-19-12-7-8-13(20)15-14(12)16-9-17-15;/h3-9,20H,2H2,1H3,(H,16,17);1H/p-1/b19-18+;.
What are the key properties of 7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride?
7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride has a molecular weight of 301.76 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-ethylphenyl)diazenyl]-3H-benzimidazol-4-ol chloride is sourced from PubChem (CID 135871441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).