2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol

C17H16N4O — CID 2882469

IUPAC2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(C=NNc2nc3ccccc3[nH]2)c1O
InChIInChI=1S/C17H16N4O/c1-2-6-12-7-5-8-13(16(12)22)11-18-21-17-19-14-9-3-4-10-15(14)20-17/h2-5,7-11,22H,1,6H2,(H2,19,20,21)
InChIKeyIOLHJWYEWHBPKC-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.44
Rot. Bonds5

About 2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol

2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol (PubChem CID 2882469) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol.

Molecular Properties

Compound Name2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol
PubChem CID2882469
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol
SMILESC=CCc1cccc(C=NNc2nc3ccccc3[nH]2)c1O
InChIInChI=1S/C17H16N4O/c1-2-6-12-7-5-8-13(16(12)22)11-18-21-17-19-14-9-3-4-10-15(14)20-17/h2-5,7-11,22H,1,6H2,(H2,19,20,21)
InChIKeyIOLHJWYEWHBPKC-UHFFFAOYSA-N
XLogP3.44
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-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-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol?
The IUPAC name of 2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol (CID 2882469) is 2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol.
What is the SMILES notation for 2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol?
The canonical SMILES for 2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol is C=CCc1cccc(C=NNc2nc3ccccc3[nH]2)c1O.
What is the InChIKey of 2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol?
The InChIKey is IOLHJWYEWHBPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-2-6-12-7-5-8-13(16(12)22)11-18-21-17-19-14-9-3-4-10-15(14)20-17/h2-5,7-11,22H,1,6H2,(H2,19,20,21).
What are the key properties of 2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol?
2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol has a molecular weight of 292.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol is sourced from PubChem (CID 2882469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).