2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole

C11H9Cl3N2 — CID 62223786

IUPAC2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
SMILESClCc1nccn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl3N2/c12-6-11-15-4-5-16(11)7-8-9(13)2-1-3-10(8)14/h1-5H,6-7H2
InChIKeySWHAFGKJOYYWCD-UHFFFAOYSA-N
MW275.57 g/mol
LogP3.98
Rot. Bonds3

About 2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole

2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole (PubChem CID 62223786) has the molecular formula C11H9Cl3N2 and a molecular weight of 275.57 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
PubChem CID62223786
Molecular FormulaC11H9Cl3N2
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
SMILESClCc1nccn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H9Cl3N2/c12-6-11-15-4-5-16(11)7-8-9(13)2-1-3-10(8)14/h1-5H,6-7H2
InChIKeySWHAFGKJOYYWCD-UHFFFAOYSA-N
XLogP3.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 53.98
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-[(2,6-dichlorophenyl)methyl]imidazole?
The IUPAC name of 2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole (CID 62223786) is 2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole?
The canonical SMILES for 2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole is ClCc1nccn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole?
The InChIKey is SWHAFGKJOYYWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2/c12-6-11-15-4-5-16(11)7-8-9(13)2-1-3-10(8)14/h1-5H,6-7H2.
What are the key properties of 2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole?
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole has a molecular weight of 275.57 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole is sourced from PubChem (CID 62223786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).