4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol

C20H15N3O2 — CID 917111

IUPAC4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)c(O)c1
InChIInChI=1S/C20H15N3O2/c24-14-10-9-13(19(25)11-14)12-21-16-6-2-1-5-15(16)20-22-17-7-3-4-8-18(17)23-20/h1-12,24-25H,(H,22,23)/b21-12+
InChIKeyYRLJEEONIRTFQX-CIAFOILYSA-N
MW329.36 g/mol
LogP4.39
Rot. Bonds3

About 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol

4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol (PubChem CID 917111) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol
PubChem CID917111
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)c(O)c1
InChIInChI=1S/C20H15N3O2/c24-14-10-9-13(19(25)11-14)12-21-16-6-2-1-5-15(16)20-22-17-7-3-4-8-18(17)23-20/h1-12,24-25H,(H,22,23)/b21-12+
InChIKeyYRLJEEONIRTFQX-CIAFOILYSA-N
XLogP4.39
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol (CID 917111) is 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol is Oc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)c(O)c1.
What is the InChIKey of 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol?
The InChIKey is YRLJEEONIRTFQX-CIAFOILYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-14-10-9-13(19(25)11-14)12-21-16-6-2-1-5-15(16)20-22-17-7-3-4-8-18(17)23-20/h1-12,24-25H,(H,22,23)/b21-12+.
What are the key properties of 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol?
4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol has a molecular weight of 329.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 917111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).