1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol

C13H15N3O — CID 143391179

IUPAC1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol
SMILESC=C(O)c1ccc(NCc2nccn2C)cc1
InChIInChI=1S/C13H15N3O/c1-10(17)11-3-5-12(6-4-11)15-9-13-14-7-8-16(13)2/h3-8,15,17H,1,9H2,2H3
InChIKeyROBYXPAUDZOCQA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.56
Rot. Bonds4

About 1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol

1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol (PubChem CID 143391179) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol.

Molecular Properties

Compound Name1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol
PubChem CID143391179
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol
SMILESC=C(O)c1ccc(NCc2nccn2C)cc1
InChIInChI=1S/C13H15N3O/c1-10(17)11-3-5-12(6-4-11)15-9-13-14-7-8-16(13)2/h3-8,15,17H,1,9H2,2H3
InChIKeyROBYXPAUDZOCQA-UHFFFAOYSA-N
XLogP2.56
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 60690893
2-methyl-3-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanoic acid
CID 166253435
5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
CID 62355697
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 60685164
N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine
CID 66350553
3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62358267
2-fluoro-5-[(1-methylimidazol-2-yl)methylamino]benzonitrile
CID 55058112
4-chloro-3-[(1-methylimidazol-2-yl)methylamino]benzoic acid
CID 82539404

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol?
The IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol (CID 143391179) is 1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol.
What is the SMILES notation for 1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol?
The canonical SMILES for 1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol is C=C(O)c1ccc(NCc2nccn2C)cc1.
What is the InChIKey of 1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol?
The InChIKey is ROBYXPAUDZOCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(17)11-3-5-12(6-4-11)15-9-13-14-7-8-16(13)2/h3-8,15,17H,1,9H2,2H3.
What are the key properties of 1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol?
1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol has a molecular weight of 229.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol is sourced from PubChem (CID 143391179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).