2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride

C11H11Cl3N2 — CID 2779195

IUPAC2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
SMILESCl.ClCc1nccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H10Cl2N2.ClH/c12-7-11-14-5-6-15(11)8-9-1-3-10(13)4-2-9;/h1-6H,7-8H2;1H
InChIKeyROWCKKYSVZMGLP-UHFFFAOYSA-N
MW277.58 g/mol
LogP3.75
Rot. Bonds3

About 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride

2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride (PubChem CID 2779195) has the molecular formula C11H11Cl3N2 and a molecular weight of 277.58 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
PubChem CID2779195
Molecular FormulaC11H11Cl3N2
Molecular Weight277.58 g/mol
Exact Mass276.00
IUPAC Name2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
SMILESCl.ClCc1nccn1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H10Cl2N2.ClH/c12-7-11-14-5-6-15(11)8-9-1-3-10(13)4-2-9;/h1-6H,7-8H2;1H
InChIKeyROWCKKYSVZMGLP-UHFFFAOYSA-N
XLogP3.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.58
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride?
The IUPAC name of 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride (CID 2779195) is 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride is Cl.ClCc1nccn1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride?
The InChIKey is ROWCKKYSVZMGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2.ClH/c12-7-11-14-5-6-15(11)8-9-1-3-10(13)4-2-9;/h1-6H,7-8H2;1H.
What are the key properties of 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride?
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride has a molecular weight of 277.58 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride is sourced from PubChem (CID 2779195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).