4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol

C20H15N3O — CID 917252

IUPAC4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol
SMILESOc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H15N3O/c24-15-11-9-14(10-12-15)13-21-17-6-2-1-5-16(17)20-22-18-7-3-4-8-19(18)23-20/h1-13,24H,(H,22,23)/b21-13+
InChIKeyPLHSUBNFTVCBGZ-FYJGNVAPSA-N
MW313.36 g/mol
LogP4.69
Rot. Bonds3

About 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol

4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol (PubChem CID 917252) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol
PubChem CID917252
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol
SMILESOc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H15N3O/c24-15-11-9-14(10-12-15)13-21-17-6-2-1-5-16(17)20-22-18-7-3-4-8-19(18)23-20/h1-13,24H,(H,22,23)/b21-13+
InChIKeyPLHSUBNFTVCBGZ-FYJGNVAPSA-N
XLogP4.69
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.69
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 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol (CID 917252) is 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol is Oc1ccc(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is PLHSUBNFTVCBGZ-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H15N3O/c24-15-11-9-14(10-12-15)13-21-17-6-2-1-5-16(17)20-22-18-7-3-4-8-19(18)23-20/h1-13,24H,(H,22,23)/b21-13+.
What are the key properties of 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol?
4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 313.36 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 917252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).