3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol

C17H15N5O — CID 3655965

IUPAC3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol
SMILESCCn1c(O)c(/N=N/c2nc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C17H15N5O/c1-2-22-14-10-6-3-7-11(14)15(16(22)23)20-21-17-18-12-8-4-5-9-13(12)19-17/h3-10,23H,2H2,1H3,(H,18,19)/b21-20+
InChIKeyHJBUFLGSWIQBML-QZQOTICOSA-N
MW305.34 g/mol
LogP4.66
Rot. Bonds3

About 3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol

3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol (PubChem CID 3655965) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol
PubChem CID3655965
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol
SMILESCCn1c(O)c(/N=N/c2nc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C17H15N5O/c1-2-22-14-10-6-3-7-11(14)15(16(22)23)20-21-17-18-12-8-4-5-9-13(12)19-17/h3-10,23H,2H2,1H3,(H,18,19)/b21-20+
InChIKeyHJBUFLGSWIQBML-QZQOTICOSA-N
XLogP4.66
TPSA78.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol?
The IUPAC name of 3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol (CID 3655965) is 3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol.
What is the SMILES notation for 3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol?
The canonical SMILES for 3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol is CCn1c(O)c(/N=N/c2nc3ccccc3[nH]2)c2ccccc21.
What is the InChIKey of 3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol?
The InChIKey is HJBUFLGSWIQBML-QZQOTICOSA-N. The full InChI is InChI=1S/C17H15N5O/c1-2-22-14-10-6-3-7-11(14)15(16(22)23)20-21-17-18-12-8-4-5-9-13(12)19-17/h3-10,23H,2H2,1H3,(H,18,19)/b21-20+.
What are the key properties of 3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol?
3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol has a molecular weight of 305.34 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol is sourced from PubChem (CID 3655965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).