1-(chloromethyl)-4-(4-methylphenyl)imidazole

C11H11ClN2 — CID 91755144

IUPAC1-(chloromethyl)-4-(4-methylphenyl)imidazole
SMILESCc1ccc(-c2cn(CCl)cn2)cc1
InChIInChI=1S/C11H11ClN2/c1-9-2-4-10(5-3-9)11-6-14(7-12)8-13-11/h2-6,8H,7H2,1H3
InChIKeyUDVYOOMKCLNRLA-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.05
Rot. Bonds2

About 1-(chloromethyl)-4-(4-methylphenyl)imidazole

1-(chloromethyl)-4-(4-methylphenyl)imidazole (PubChem CID 91755144) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(4-methylphenyl)imidazole.

Molecular Properties

Compound Name1-(chloromethyl)-4-(4-methylphenyl)imidazole
PubChem CID91755144
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name1-(chloromethyl)-4-(4-methylphenyl)imidazole
SMILESCc1ccc(-c2cn(CCl)cn2)cc1
InChIInChI=1S/C11H11ClN2/c1-9-2-4-10(5-3-9)11-6-14(7-12)8-13-11/h2-6,8H,7H2,1H3
InChIKeyUDVYOOMKCLNRLA-UHFFFAOYSA-N
XLogP3.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.05
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 1-(chloromethyl)-4-(4-methylphenyl)imidazole?
The IUPAC name of 1-(chloromethyl)-4-(4-methylphenyl)imidazole (CID 91755144) is 1-(chloromethyl)-4-(4-methylphenyl)imidazole.
What is the SMILES notation for 1-(chloromethyl)-4-(4-methylphenyl)imidazole?
The canonical SMILES for 1-(chloromethyl)-4-(4-methylphenyl)imidazole is Cc1ccc(-c2cn(CCl)cn2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-(4-methylphenyl)imidazole?
The InChIKey is UDVYOOMKCLNRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-9-2-4-10(5-3-9)11-6-14(7-12)8-13-11/h2-6,8H,7H2,1H3.
What are the key properties of 1-(chloromethyl)-4-(4-methylphenyl)imidazole?
1-(chloromethyl)-4-(4-methylphenyl)imidazole has a molecular weight of 206.68 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-(4-methylphenyl)imidazole is sourced from PubChem (CID 91755144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).