5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride

C8H14Cl2N2O — CID 18670849

IUPAC5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride
SMILESCOCCCn1cncc1CCl.Cl
InChIInChI=1S/C8H13ClN2O.ClH/c1-12-4-2-3-11-7-10-6-8(11)5-9;/h6-7H,2-5H2,1H3;1H
InChIKeyYZVFYUOFVANEGA-UHFFFAOYSA-N
MW225.12 g/mol
LogP2.08
Rot. Bonds5

About 5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride

5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride (PubChem CID 18670849) has the molecular formula C8H14Cl2N2O and a molecular weight of 225.12 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride
PubChem CID18670849
Molecular FormulaC8H14Cl2N2O
Molecular Weight225.12 g/mol
Exact Mass224.05
IUPAC Name5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride
SMILESCOCCCn1cncc1CCl.Cl
InChIInChI=1S/C8H13ClN2O.ClH/c1-12-4-2-3-11-7-10-6-8(11)5-9;/h6-7H,2-5H2,1H3;1H
InChIKeyYZVFYUOFVANEGA-UHFFFAOYSA-N
XLogP2.08
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-1-(3-fluoropropyl)imidazole
CID 130504730
5-(chloromethyl)-1-decylimidazole
CID 18670803
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146724
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
CID 75530754
ethyl 4-[5-(chloromethyl)imidazol-1-yl]butanoate;hydrochloride
CID 174382996
3-(3-methoxypropyl)imidazole-4-carbaldehyde
CID 66146994
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
5-(2,2-dimethylpropyl)-1-(2-methoxyethyl)imidazole
CID 155261577
1-(2-methoxyethyl)-5-(2-methylpropyl)imidazole
CID 139364682
2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine
CID 66149177
N-[[3-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 114097853

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride (CID 18670849) is 5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride is COCCCn1cncc1CCl.Cl.
What is the InChIKey of 5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride?
The InChIKey is YZVFYUOFVANEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O.ClH/c1-12-4-2-3-11-7-10-6-8(11)5-9;/h6-7H,2-5H2,1H3;1H.
What are the key properties of 5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride?
5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride has a molecular weight of 225.12 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(3-methoxypropyl)imidazole;hydrochloride is sourced from PubChem (CID 18670849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).