5-amino-2-(2-methylimidazol-1-yl)phenol

C10H11N3O — CID 82404649

IUPAC5-amino-2-(2-methylimidazol-1-yl)phenol
SMILESCc1nccn1-c1ccc(N)cc1O
InChIInChI=1S/C10H11N3O/c1-7-12-4-5-13(7)9-3-2-8(11)6-10(9)14/h2-6,14H,11H2,1H3
InChIKeyQSVAHJATUFIURG-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.47
Rot. Bonds1

About 5-amino-2-(2-methylimidazol-1-yl)phenol

5-amino-2-(2-methylimidazol-1-yl)phenol (PubChem CID 82404649) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-amino-2-(2-methylimidazol-1-yl)phenol.

Molecular Properties

Compound Name5-amino-2-(2-methylimidazol-1-yl)phenol
PubChem CID82404649
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-amino-2-(2-methylimidazol-1-yl)phenol
SMILESCc1nccn1-c1ccc(N)cc1O
InChIInChI=1S/C10H11N3O/c1-7-12-4-5-13(7)9-3-2-8(11)6-10(9)14/h2-6,14H,11H2,1H3
InChIKeyQSVAHJATUFIURG-UHFFFAOYSA-N
XLogP1.47
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(2-methylimidazol-1-yl)phenol
CID 84662024
3-methyl-4-(2-methylimidazol-1-yl)phenol
CID 65313636
5-bromo-2-(2-methylimidazol-1-yl)aniline
CID 24707563
3-amino-4-(2-methylimidazol-1-yl)benzamide
CID 43448491
2-(2-methylimidazol-1-yl)aniline;hydrochloride
CID 126802319
4-bromo-2-(2-methylimidazol-1-yl)aniline
CID 65342749
N'-hydroxy-5-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 107930064
1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 43188939
5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde
CID 43313022
N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 62308838
4-chloro-2-(2-methylimidazol-1-yl)benzamide
CID 63811813
[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine
CID 84682959

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-methylimidazol-1-yl)phenol?
The IUPAC name of 5-amino-2-(2-methylimidazol-1-yl)phenol (CID 82404649) is 5-amino-2-(2-methylimidazol-1-yl)phenol.
What is the SMILES notation for 5-amino-2-(2-methylimidazol-1-yl)phenol?
The canonical SMILES for 5-amino-2-(2-methylimidazol-1-yl)phenol is Cc1nccn1-c1ccc(N)cc1O.
What is the InChIKey of 5-amino-2-(2-methylimidazol-1-yl)phenol?
The InChIKey is QSVAHJATUFIURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-12-4-5-13(7)9-3-2-8(11)6-10(9)14/h2-6,14H,11H2,1H3.
What are the key properties of 5-amino-2-(2-methylimidazol-1-yl)phenol?
5-amino-2-(2-methylimidazol-1-yl)phenol has a molecular weight of 189.22 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-methylimidazol-1-yl)phenol is sourced from PubChem (CID 82404649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).