5-(chloromethyl)-1-decylimidazole

C14H25ClN2 — CID 18670803

IUPAC5-(chloromethyl)-1-decylimidazole
SMILESCCCCCCCCCCn1cncc1CCl
InChIInChI=1S/C14H25ClN2/c1-2-3-4-5-6-7-8-9-10-17-13-16-12-14(17)11-15/h12-13H,2-11H2,1H3
InChIKeyPDZJARDOWFZAFU-UHFFFAOYSA-N
MW256.82 g/mol
LogP4.76
Rot. Bonds10

About 5-(chloromethyl)-1-decylimidazole

5-(chloromethyl)-1-decylimidazole (PubChem CID 18670803) has the molecular formula C14H25ClN2 and a molecular weight of 256.82 g/mol. Its IUPAC name is 5-(chloromethyl)-1-decylimidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-decylimidazole
PubChem CID18670803
Molecular FormulaC14H25ClN2
Molecular Weight256.82 g/mol
Exact Mass256.17
IUPAC Name5-(chloromethyl)-1-decylimidazole
SMILESCCCCCCCCCCn1cncc1CCl
InChIInChI=1S/C14H25ClN2/c1-2-3-4-5-6-7-8-9-10-17-13-16-12-14(17)11-15/h12-13H,2-11H2,1H3
InChIKeyPDZJARDOWFZAFU-UHFFFAOYSA-N
XLogP4.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-methoxypropyl)imidazole;hydrochloride
CID 18670849
ethyl 4-[5-(chloromethyl)imidazol-1-yl]butanoate;hydrochloride
CID 174382996
2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine
CID 66149177
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
3-[5-(chloromethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150216
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
5-(chloromethyl)-1-(2,3-dimethylbutyl)imidazole
CID 66149387
2-deuterio-5-ethyl-1-pentylimidazole
CID 175912724
5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole
CID 66150644
5-(chloromethyl)-1-[2-(3,5-difluorophenyl)ethyl]imidazole
CID 66149176
5-(chloromethyl)-1-(2,2,2-trifluoroethyl)imidazole
CID 66149167

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-decylimidazole?
The IUPAC name of 5-(chloromethyl)-1-decylimidazole (CID 18670803) is 5-(chloromethyl)-1-decylimidazole.
What is the SMILES notation for 5-(chloromethyl)-1-decylimidazole?
The canonical SMILES for 5-(chloromethyl)-1-decylimidazole is CCCCCCCCCCn1cncc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-decylimidazole?
The InChIKey is PDZJARDOWFZAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN2/c1-2-3-4-5-6-7-8-9-10-17-13-16-12-14(17)11-15/h12-13H,2-11H2,1H3.
What are the key properties of 5-(chloromethyl)-1-decylimidazole?
5-(chloromethyl)-1-decylimidazole has a molecular weight of 256.82 g/mol, XLogP of 4.76, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-decylimidazole is sourced from PubChem (CID 18670803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).