2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol

C16H13N3O — CID 3809356

IUPAC2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C16H13N3O/c20-16-7-2-1-4-13(16)9-18-14-6-3-5-12(8-14)15-10-17-11-19-15/h1-11,20H,(H,17,19)/b18-9+
InChIKeyPCKQEGOEGWLCSH-GIJQJNRQSA-N
MW263.30 g/mol
LogP3.53
Rot. Bonds3

About 2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol

2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol (PubChem CID 3809356) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol
PubChem CID3809356
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C16H13N3O/c20-16-7-2-1-4-13(16)9-18-14-6-3-5-12(8-14)15-10-17-11-19-15/h1-11,20H,(H,17,19)/b18-9+
InChIKeyPCKQEGOEGWLCSH-GIJQJNRQSA-N
XLogP3.53
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol (CID 3809356) is 2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol?
The InChIKey is PCKQEGOEGWLCSH-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16-7-2-1-4-13(16)9-18-14-6-3-5-12(8-14)15-10-17-11-19-15/h1-11,20H,(H,17,19)/b18-9+.
What are the key properties of 2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol?
2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol has a molecular weight of 263.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-imidazol-5-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 3809356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).