5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride

C9H10Cl2N2O — CID 18673584

IUPAC5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride
SMILESCl.ClCc1cncn1Cc1ccco1
InChIInChI=1S/C9H9ClN2O.ClH/c10-4-8-5-11-7-12(8)6-9-2-1-3-13-9;/h1-3,5,7H,4,6H2;1H
InChIKeyYTOSOWAJRUIBJC-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.68
Rot. Bonds3

About 5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride

5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride (PubChem CID 18673584) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride
PubChem CID18673584
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride
SMILESCl.ClCc1cncn1Cc1ccco1
InChIInChI=1S/C9H9ClN2O.ClH/c10-4-8-5-11-7-12(8)6-9-2-1-3-13-9;/h1-3,5,7H,4,6H2;1H
InChIKeyYTOSOWAJRUIBJC-UHFFFAOYSA-N
XLogP2.68
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride (CID 18673584) is 5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride is Cl.ClCc1cncn1Cc1ccco1.
What is the InChIKey of 5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride?
The InChIKey is YTOSOWAJRUIBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O.ClH/c10-4-8-5-11-7-12(8)6-9-2-1-3-13-9;/h1-3,5,7H,4,6H2;1H.
What are the key properties of 5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride?
5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride has a molecular weight of 233.10 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride is sourced from PubChem (CID 18673584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).