4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole

C10H7Cl3N2 — CID 130482269

IUPAC4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole
SMILESClCc1cn(-c2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C10H7Cl3N2/c11-4-7-5-15(6-14-7)10-8(12)2-1-3-9(10)13/h1-3,5-6H,4H2
InChIKeyJMQZVEFSNAGMJA-UHFFFAOYSA-N
MW261.54 g/mol
LogP3.92
Rot. Bonds2

About 4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole

4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole (PubChem CID 130482269) has the molecular formula C10H7Cl3N2 and a molecular weight of 261.54 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole
PubChem CID130482269
Molecular FormulaC10H7Cl3N2
Molecular Weight261.54 g/mol
Exact Mass259.97
IUPAC Name4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole
SMILESClCc1cn(-c2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C10H7Cl3N2/c11-4-7-5-15(6-14-7)10-8(12)2-1-3-9(10)13/h1-3,5-6H,4H2
InChIKeyJMQZVEFSNAGMJA-UHFFFAOYSA-N
XLogP3.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.54
LogP ≤ 53.92
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 4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole?
The IUPAC name of 4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole (CID 130482269) is 4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole.
What is the SMILES notation for 4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole?
The canonical SMILES for 4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole is ClCc1cn(-c2c(Cl)cccc2Cl)cn1.
What is the InChIKey of 4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole?
The InChIKey is JMQZVEFSNAGMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2/c11-4-7-5-15(6-14-7)10-8(12)2-1-3-9(10)13/h1-3,5-6H,4H2.
What are the key properties of 4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole?
4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole has a molecular weight of 261.54 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2,6-dichlorophenyl)imidazole is sourced from PubChem (CID 130482269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).