4-[(3-imidazol-1-ylanilino)methyl]phenol

C16H15N3O — CID 43678301

IUPAC4-[(3-imidazol-1-ylanilino)methyl]phenol
SMILESOc1ccc(CNc2cccc(-n3ccnc3)c2)cc1
InChIInChI=1S/C16H15N3O/c20-16-6-4-13(5-7-16)11-18-14-2-1-3-15(10-14)19-9-8-17-12-19/h1-10,12,18,20H,11H2
InChIKeyZGPSRMGIIXBGBL-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.19
Rot. Bonds4

About 4-[(3-imidazol-1-ylanilino)methyl]phenol

4-[(3-imidazol-1-ylanilino)methyl]phenol (PubChem CID 43678301) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(3-imidazol-1-ylanilino)methyl]phenol.

Molecular Properties

Compound Name4-[(3-imidazol-1-ylanilino)methyl]phenol
PubChem CID43678301
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[(3-imidazol-1-ylanilino)methyl]phenol
SMILESOc1ccc(CNc2cccc(-n3ccnc3)c2)cc1
InChIInChI=1S/C16H15N3O/c20-16-6-4-13(5-7-16)11-18-14-2-1-3-15(10-14)19-9-8-17-12-19/h1-10,12,18,20H,11H2
InChIKeyZGPSRMGIIXBGBL-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

Analyze 4-[(3-imidazol-1-ylanilino)methyl]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

3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 107685401
3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756648
N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678377
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 166178950
3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130531
3-imidazol-1-yl-N-(2-phenylethyl)aniline
CID 43678331
N-[(2-bromophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678363
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
CID 43678312
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075

Frequently Asked Questions

What is the IUPAC name of 4-[(3-imidazol-1-ylanilino)methyl]phenol?
The IUPAC name of 4-[(3-imidazol-1-ylanilino)methyl]phenol (CID 43678301) is 4-[(3-imidazol-1-ylanilino)methyl]phenol.
What is the SMILES notation for 4-[(3-imidazol-1-ylanilino)methyl]phenol?
The canonical SMILES for 4-[(3-imidazol-1-ylanilino)methyl]phenol is Oc1ccc(CNc2cccc(-n3ccnc3)c2)cc1.
What is the InChIKey of 4-[(3-imidazol-1-ylanilino)methyl]phenol?
The InChIKey is ZGPSRMGIIXBGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16-6-4-13(5-7-16)11-18-14-2-1-3-15(10-14)19-9-8-17-12-19/h1-10,12,18,20H,11H2.
What are the key properties of 4-[(3-imidazol-1-ylanilino)methyl]phenol?
4-[(3-imidazol-1-ylanilino)methyl]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-[(3-imidazol-1-ylanilino)methyl]phenol is sourced from PubChem (CID 43678301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).