2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol

C16H15N3O — CID 135641157

IUPAC2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol
SMILESCCn1c(/N=C/c2ccccc2O)nc2ccccc21
InChIInChI=1S/C16H15N3O/c1-2-19-14-9-5-4-8-13(14)18-16(19)17-11-12-7-3-6-10-15(12)20/h3-11,20H,2H2,1H3/b17-11+
InChIKeyOXVSOZCLALACOR-GZTJUZNOSA-N
MW265.32 g/mol
LogP3.51
Rot. Bonds3

About 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol

2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol (PubChem CID 135641157) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol
PubChem CID135641157
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol
SMILESCCn1c(/N=C/c2ccccc2O)nc2ccccc21
InChIInChI=1S/C16H15N3O/c1-2-19-14-9-5-4-8-13(14)18-16(19)17-11-12-7-3-6-10-15(12)20/h3-11,20H,2H2,1H3/b17-11+
InChIKeyOXVSOZCLALACOR-GZTJUZNOSA-N
XLogP3.51
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
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 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol?
The IUPAC name of 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol (CID 135641157) is 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol is CCn1c(/N=C/c2ccccc2O)nc2ccccc21.
What is the InChIKey of 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol?
The InChIKey is OXVSOZCLALACOR-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-19-14-9-5-4-8-13(14)18-16(19)17-11-12-7-3-6-10-15(12)20/h3-11,20H,2H2,1H3/b17-11+.
What are the key properties of 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol?
2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol has a molecular weight of 265.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]phenol is sourced from PubChem (CID 135641157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).