4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride

C6H10Cl2N2 — CID 12647304

IUPAC4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride
SMILESCc1nc(CCl)c(C)[nH]1.Cl
InChIInChI=1S/C6H9ClN2.ClH/c1-4-6(3-7)9-5(2)8-4;/h3H2,1-2H3,(H,8,9);1H
InChIKeyRQBKKCNZMOENQV-UHFFFAOYSA-N
MW181.07 g/mol
LogP2.19
Rot. Bonds1

About 4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride

4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride (PubChem CID 12647304) has the molecular formula C6H10Cl2N2 and a molecular weight of 181.07 g/mol. Its IUPAC name is 4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride
PubChem CID12647304
Molecular FormulaC6H10Cl2N2
Molecular Weight181.07 g/mol
Exact Mass180.02
IUPAC Name4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride
SMILESCc1nc(CCl)c(C)[nH]1.Cl
InChIInChI=1S/C6H9ClN2.ClH/c1-4-6(3-7)9-5(2)8-4;/h3H2,1-2H3,(H,8,9);1H
InChIKeyRQBKKCNZMOENQV-UHFFFAOYSA-N
XLogP2.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 52.19
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 4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride?
The IUPAC name of 4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride (CID 12647304) is 4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride is Cc1nc(CCl)c(C)[nH]1.Cl.
What is the InChIKey of 4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride?
The InChIKey is RQBKKCNZMOENQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2.ClH/c1-4-6(3-7)9-5(2)8-4;/h3H2,1-2H3,(H,8,9);1H.
What are the key properties of 4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride?
4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride has a molecular weight of 181.07 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,5-dimethyl-1H-imidazole;hydrochloride is sourced from PubChem (CID 12647304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).