2-(2-methylimidazol-1-yl)aniline;hydrochloride

C10H12ClN3 — CID 126802319

IUPAC2-(2-methylimidazol-1-yl)aniline;hydrochloride
SMILESCc1nccn1-c1ccccc1N.Cl
InChIInChI=1S/C10H11N3.ClH/c1-8-12-6-7-13(8)10-5-3-2-4-9(10)11;/h2-7H,11H2,1H3;1H
InChIKeyRFPJSMKAJWWYJP-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.18
Rot. Bonds1

About 2-(2-methylimidazol-1-yl)aniline;hydrochloride

2-(2-methylimidazol-1-yl)aniline;hydrochloride (PubChem CID 126802319) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)aniline;hydrochloride.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)aniline;hydrochloride
PubChem CID126802319
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-(2-methylimidazol-1-yl)aniline;hydrochloride
SMILESCc1nccn1-c1ccccc1N.Cl
InChIInChI=1S/C10H11N3.ClH/c1-8-12-6-7-13(8)10-5-3-2-4-9(10)11;/h2-7H,11H2,1H3;1H
InChIKeyRFPJSMKAJWWYJP-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2-methylimidazol-1-yl)aniline
CID 24707563
4-bromo-2-(2-methylimidazol-1-yl)aniline
CID 65342749
2-[2-(trifluoromethyl)imidazol-1-yl]aniline
CID 22759837
(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine
CID 103959121
3-amino-4-(2-methylimidazol-1-yl)benzamide
CID 43448491
2-amino-1-[2-(2-methylimidazol-1-yl)phenyl]ethanone
CID 83821528
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
2-[2-(2-methylimidazol-1-yl)phenyl]quinoline;dihydrochloride
CID 141258750
5-amino-2-(2-methylimidazol-1-yl)phenol
CID 82404649
4-amino-2-(2-methylimidazol-1-yl)phenol
CID 84662024
6-methoxy-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 110188878
1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole
CID 28946545

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)aniline;hydrochloride?
The IUPAC name of 2-(2-methylimidazol-1-yl)aniline;hydrochloride (CID 126802319) is 2-(2-methylimidazol-1-yl)aniline;hydrochloride.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)aniline;hydrochloride?
The canonical SMILES for 2-(2-methylimidazol-1-yl)aniline;hydrochloride is Cc1nccn1-c1ccccc1N.Cl.
What is the InChIKey of 2-(2-methylimidazol-1-yl)aniline;hydrochloride?
The InChIKey is RFPJSMKAJWWYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.ClH/c1-8-12-6-7-13(8)10-5-3-2-4-9(10)11;/h2-7H,11H2,1H3;1H.
What are the key properties of 2-(2-methylimidazol-1-yl)aniline;hydrochloride?
2-(2-methylimidazol-1-yl)aniline;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)aniline;hydrochloride is sourced from PubChem (CID 126802319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).