2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride

C10H10Cl2N2 — CID 139644021

IUPAC2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride
SMILESCl.ClCc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H9ClN2.ClH/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,12,13);1H
InChIKeyWJEFFWUJTQOLSN-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.24
Rot. Bonds2

About 2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride

2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride (PubChem CID 139644021) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride
PubChem CID139644021
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride
SMILESCl.ClCc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H9ClN2.ClH/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,12,13);1H
InChIKeyWJEFFWUJTQOLSN-UHFFFAOYSA-N
XLogP3.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride?
The IUPAC name of 2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride (CID 139644021) is 2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride is Cl.ClCc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride?
The InChIKey is WJEFFWUJTQOLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2.ClH/c11-6-10-12-7-9(13-10)8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,12,13);1H.
What are the key properties of 2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride?
2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride has a molecular weight of 229.11 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-phenyl-1H-imidazole;hydrochloride is sourced from PubChem (CID 139644021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).