4-[(4-imidazol-1-ylphenyl)methylamino]phenol

C16H15N3O — CID 43790371

IUPAC4-[(4-imidazol-1-ylphenyl)methylamino]phenol
SMILESOc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C16H15N3O/c20-16-7-3-14(4-8-16)18-11-13-1-5-15(6-2-13)19-10-9-17-12-19/h1-10,12,18,20H,11H2
InChIKeyLKCGEPMPOCVFOD-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.19
Rot. Bonds4

About 4-[(4-imidazol-1-ylphenyl)methylamino]phenol

4-[(4-imidazol-1-ylphenyl)methylamino]phenol (PubChem CID 43790371) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(4-imidazol-1-ylphenyl)methylamino]phenol.

Molecular Properties

Compound Name4-[(4-imidazol-1-ylphenyl)methylamino]phenol
PubChem CID43790371
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[(4-imidazol-1-ylphenyl)methylamino]phenol
SMILESOc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C16H15N3O/c20-16-7-3-14(4-8-16)18-11-13-1-5-15(6-2-13)19-10-9-17-12-19/h1-10,12,18,20H,11H2
InChIKeyLKCGEPMPOCVFOD-UHFFFAOYSA-N
XLogP3.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[(4-imidazol-1-ylphenyl)methylamino]phenol with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429
5-[(4-imidazol-1-ylphenyl)methylamino]-1-methylpyridin-2-one
CID 60931656
N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43777191
N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
CID 78887879
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
4-[2-[[2-(4-imidazol-1-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117085289
[2-ethoxy-5-[(4-imidazol-1-ylphenyl)methylamino]phenyl]methanol
CID 110897397
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 28621639
2-chloro-4-fluoro-N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229813

Frequently Asked Questions

What is the IUPAC name of 4-[(4-imidazol-1-ylphenyl)methylamino]phenol?
The IUPAC name of 4-[(4-imidazol-1-ylphenyl)methylamino]phenol (CID 43790371) is 4-[(4-imidazol-1-ylphenyl)methylamino]phenol.
What is the SMILES notation for 4-[(4-imidazol-1-ylphenyl)methylamino]phenol?
The canonical SMILES for 4-[(4-imidazol-1-ylphenyl)methylamino]phenol is Oc1ccc(NCc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 4-[(4-imidazol-1-ylphenyl)methylamino]phenol?
The InChIKey is LKCGEPMPOCVFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16-7-3-14(4-8-16)18-11-13-1-5-15(6-2-13)19-10-9-17-12-19/h1-10,12,18,20H,11H2.
What are the key properties of 4-[(4-imidazol-1-ylphenyl)methylamino]phenol?
4-[(4-imidazol-1-ylphenyl)methylamino]phenol has a molecular weight of 265.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-imidazol-1-ylphenyl)methylamino]phenol is sourced from PubChem (CID 43790371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).