5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol

C17H13N5O — CID 3113698

IUPAC5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol
SMILESCn1c(/N=N/c2ccc(O)c3ncccc23)nc2ccccc21
InChIInChI=1S/C17H13N5O/c1-22-14-7-3-2-6-13(14)19-17(22)21-20-12-8-9-15(23)16-11(12)5-4-10-18-16/h2-10,23H,1H3/b21-20+
InChIKeyOLWUIQOVWISLBT-QZQOTICOSA-N
MW303.32 g/mol
LogP4.24
Rot. Bonds2

About 5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol

5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol (PubChem CID 3113698) has the molecular formula C17H13N5O and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol
PubChem CID3113698
Molecular FormulaC17H13N5O
Molecular Weight303.32 g/mol
Exact Mass303.11
IUPAC Name5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol
SMILESCn1c(/N=N/c2ccc(O)c3ncccc23)nc2ccccc21
InChIInChI=1S/C17H13N5O/c1-22-14-7-3-2-6-13(14)19-17(22)21-20-12-8-9-15(23)16-11(12)5-4-10-18-16/h2-10,23H,1H3/b21-20+
InChIKeyOLWUIQOVWISLBT-QZQOTICOSA-N
XLogP4.24
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol?
The IUPAC name of 5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol (CID 3113698) is 5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol.
What is the SMILES notation for 5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol?
The canonical SMILES for 5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol is Cn1c(/N=N/c2ccc(O)c3ncccc23)nc2ccccc21.
What is the InChIKey of 5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol?
The InChIKey is OLWUIQOVWISLBT-QZQOTICOSA-N. The full InChI is InChI=1S/C17H13N5O/c1-22-14-7-3-2-6-13(14)19-17(22)21-20-12-8-9-15(23)16-11(12)5-4-10-18-16/h2-10,23H,1H3/b21-20+.
What are the key properties of 5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol?
5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol has a molecular weight of 303.32 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylbenzimidazol-2-yl)diazenyl]quinolin-8-ol is sourced from PubChem (CID 3113698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).