2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol

C19H19N3O — CID 135437653

IUPAC2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(/C=N/c2nc3ccccc3n2CC)c1O
InChIInChI=1S/C19H19N3O/c1-3-8-14-9-7-10-15(18(14)23)13-20-19-21-16-11-5-6-12-17(16)22(19)4-2/h3,5-7,9-13,23H,1,4,8H2,2H3/b20-13+
InChIKeyDBNNLWSXIUPUEA-DEDYPNTBSA-N
MW305.38 g/mol
LogP4.24
Rot. Bonds5

About 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol

2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol (PubChem CID 135437653) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol
PubChem CID135437653
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(/C=N/c2nc3ccccc3n2CC)c1O
InChIInChI=1S/C19H19N3O/c1-3-8-14-9-7-10-15(18(14)23)13-20-19-21-16-11-5-6-12-17(16)22(19)4-2/h3,5-7,9-13,23H,1,4,8H2,2H3/b20-13+
InChIKeyDBNNLWSXIUPUEA-DEDYPNTBSA-N
XLogP4.24
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol?
The IUPAC name of 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol (CID 135437653) is 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol is C=CCc1cccc(/C=N/c2nc3ccccc3n2CC)c1O.
What is the InChIKey of 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol?
The InChIKey is DBNNLWSXIUPUEA-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O/c1-3-8-14-9-7-10-15(18(14)23)13-20-19-21-16-11-5-6-12-17(16)22(19)4-2/h3,5-7,9-13,23H,1,4,8H2,2H3/b20-13+.
What are the key properties of 2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol?
2-[(E)-(1-ethylbenzimidazol-2-yl)iminomethyl]-6-prop-2-enylphenol has a molecular weight of 305.38 g/mol, XLogP of 4.24, 5 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]-6-prop-2-enylphenol is sourced from PubChem (CID 135437653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).