2-(chloromethyl)-1-pentylimidazole;hydrochloride

C9H16Cl2N2 — CID 22938760

IUPAC2-(chloromethyl)-1-pentylimidazole;hydrochloride
SMILESCCCCCn1ccnc1CCl.Cl
InChIInChI=1S/C9H15ClN2.ClH/c1-2-3-4-6-12-7-5-11-9(12)8-10;/h5,7H,2-4,6,8H2,1H3;1H
InChIKeyGXNWXXIQQXIJHF-UHFFFAOYSA-N
MW223.15 g/mol
LogP3.23
Rot. Bonds5

About 2-(chloromethyl)-1-pentylimidazole;hydrochloride

2-(chloromethyl)-1-pentylimidazole;hydrochloride (PubChem CID 22938760) has the molecular formula C9H16Cl2N2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2-(chloromethyl)-1-pentylimidazole;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-1-pentylimidazole;hydrochloride
PubChem CID22938760
Molecular FormulaC9H16Cl2N2
Molecular Weight223.15 g/mol
Exact Mass222.07
IUPAC Name2-(chloromethyl)-1-pentylimidazole;hydrochloride
SMILESCCCCCn1ccnc1CCl.Cl
InChIInChI=1S/C9H15ClN2.ClH/c1-2-3-4-6-12-7-5-11-9(12)8-10;/h5,7H,2-4,6,8H2,1H3;1H
InChIKeyGXNWXXIQQXIJHF-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 53.23
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

1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1,2-di(pentadecyl)imidazole
CID 69388452
1-dodecyl-2-(methoxymethyl)imidazole
CID 102458627
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
1-(1-octylimidazol-2-yl)propan-2-amine
CID 63096350
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
2-(chloromethyl)-1-(4-phenylbutyl)imidazole
CID 114334337
1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303
1-pentylimidazol-2-amine
CID 61354351

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-pentylimidazole;hydrochloride?
The IUPAC name of 2-(chloromethyl)-1-pentylimidazole;hydrochloride (CID 22938760) is 2-(chloromethyl)-1-pentylimidazole;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-1-pentylimidazole;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-1-pentylimidazole;hydrochloride is CCCCCn1ccnc1CCl.Cl.
What is the InChIKey of 2-(chloromethyl)-1-pentylimidazole;hydrochloride?
The InChIKey is GXNWXXIQQXIJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2.ClH/c1-2-3-4-6-12-7-5-11-9(12)8-10;/h5,7H,2-4,6,8H2,1H3;1H.
What are the key properties of 2-(chloromethyl)-1-pentylimidazole;hydrochloride?
2-(chloromethyl)-1-pentylimidazole;hydrochloride has a molecular weight of 223.15 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-pentylimidazole;hydrochloride is sourced from PubChem (CID 22938760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).