3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride

C10H12ClN3 — CID 67922284

IUPAC3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride
SMILESCc1ccc(N)cc1-c1ncc[nH]1.Cl
InChIInChI=1S/C10H11N3.ClH/c1-7-2-3-8(11)6-9(7)10-12-4-5-13-10;/h2-6H,11H2,1H3,(H,12,13);1H
InChIKeyCGLOOOYIIMJVQA-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.39
Rot. Bonds1

About 3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride

3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride (PubChem CID 67922284) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride
PubChem CID67922284
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride
SMILESCc1ccc(N)cc1-c1ncc[nH]1.Cl
InChIInChI=1S/C10H11N3.ClH/c1-7-2-3-8(11)6-9(7)10-12-4-5-13-10;/h2-6H,11H2,1H3,(H,12,13);1H
InChIKeyCGLOOOYIIMJVQA-UHFFFAOYSA-N
XLogP2.39
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride?
The IUPAC name of 3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride (CID 67922284) is 3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride?
The canonical SMILES for 3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride is Cc1ccc(N)cc1-c1ncc[nH]1.Cl.
What is the InChIKey of 3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride?
The InChIKey is CGLOOOYIIMJVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.ClH/c1-7-2-3-8(11)6-9(7)10-12-4-5-13-10;/h2-6H,11H2,1H3,(H,12,13);1H.
What are the key properties of 3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride?
3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-4-methylaniline;hydrochloride is sourced from PubChem (CID 67922284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).