4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride

C8H14Cl2N2 — CID 22938379

IUPAC4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride
SMILESCCCn1cnc(CCl)c1C.Cl
InChIInChI=1S/C8H13ClN2.ClH/c1-3-4-11-6-10-8(5-9)7(11)2;/h6H,3-5H2,1-2H3;1H
InChIKeyWYKIRNIIHQUXJW-UHFFFAOYSA-N
MW209.12 g/mol
LogP2.76
Rot. Bonds3

About 4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride

4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride (PubChem CID 22938379) has the molecular formula C8H14Cl2N2 and a molecular weight of 209.12 g/mol. Its IUPAC name is 4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride
PubChem CID22938379
Molecular FormulaC8H14Cl2N2
Molecular Weight209.12 g/mol
Exact Mass208.05
IUPAC Name4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride
SMILESCCCn1cnc(CCl)c1C.Cl
InChIInChI=1S/C8H13ClN2.ClH/c1-3-4-11-6-10-8(5-9)7(11)2;/h6H,3-5H2,1-2H3;1H
InChIKeyWYKIRNIIHQUXJW-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-methyl-1-propylimidazol-4-yl)methylsulfinyl]aniline
CID 139373221
1-butyl-4,5-dimethylimidazole
CID 18671206
1-(4-chlorobutyl)-4,5-dimethylimidazole
CID 62349846
1-decyl-4,5-dimethylimidazole
CID 116621792
1-(5-chloropentyl)-4,5-dimethylimidazole
CID 62349844
3,7-dipropylimidazo[4,5-f]benzimidazole
CID 46862422
2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride
CID 75531085
5-iodo-6-methyl-3-propylpyrimidin-4-one
CID 66343113
4,5-diethyl-1-hexylimidazole
CID 175316393
6-methyl-1-propylbenzimidazole
CID 122608641
5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine
CID 103090206
4-(chloromethyl)-3-methyl-1-propylpyrazole
CID 17272171

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride?
The IUPAC name of 4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride (CID 22938379) is 4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride is CCCn1cnc(CCl)c1C.Cl.
What is the InChIKey of 4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride?
The InChIKey is WYKIRNIIHQUXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2.ClH/c1-3-4-11-6-10-8(5-9)7(11)2;/h6H,3-5H2,1-2H3;1H.
What are the key properties of 4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride?
4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride has a molecular weight of 209.12 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride is sourced from PubChem (CID 22938379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).