4-[(1-methylimidazol-2-yl)methylamino]phenol

C11H13N3O — CID 62351704

IUPAC4-[(1-methylimidazol-2-yl)methylamino]phenol
SMILESCn1ccnc1CNc1ccc(O)cc1
InChIInChI=1S/C11H13N3O/c1-14-7-6-12-11(14)8-13-9-2-4-10(15)5-3-9/h2-7,13,15H,8H2,1H3
InChIKeyLUULUFCZHKKTNU-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.74
Rot. Bonds3

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

4-[(1-methylimidazol-2-yl)methylamino]phenol (PubChem CID 62351704) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methylamino]phenol
PubChem CID62351704
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-[(1-methylimidazol-2-yl)methylamino]phenol
SMILESCn1ccnc1CNc1ccc(O)cc1
InChIInChI=1S/C11H13N3O/c1-14-7-6-12-11(14)8-13-9-2-4-10(15)5-3-9/h2-7,13,15H,8H2,1H3
InChIKeyLUULUFCZHKKTNU-UHFFFAOYSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(1-methylimidazol-2-yl)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

4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol
CID 143391179
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 60690893
N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine
CID 66350553
N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 60685164
2-methyl-3-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanoic acid
CID 166253435
4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295569
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854
5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
CID 62355697

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methylamino]phenol?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methylamino]phenol (CID 62351704) is 4-[(1-methylimidazol-2-yl)methylamino]phenol.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methylamino]phenol?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methylamino]phenol is Cn1ccnc1CNc1ccc(O)cc1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methylamino]phenol?
The InChIKey is LUULUFCZHKKTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-7-6-12-11(14)8-13-9-2-4-10(15)5-3-9/h2-7,13,15H,8H2,1H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methylamino]phenol?
4-[(1-methylimidazol-2-yl)methylamino]phenol has a molecular weight of 203.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methylamino]phenol is sourced from PubChem (CID 62351704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).