5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride

C7H10Cl2N2 — CID 22938566

IUPAC5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride
SMILESCl.ClCc1cncn1C1CC1
InChIInChI=1S/C7H9ClN2.ClH/c8-3-7-4-9-5-10(7)6-1-2-6;/h4-6H,1-3H2;1H
InChIKeyBAVHAEFRFJEIGI-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.38
Rot. Bonds2

About 5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride

5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride (PubChem CID 22938566) has the molecular formula C7H10Cl2N2 and a molecular weight of 193.08 g/mol. Its IUPAC name is 5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride
PubChem CID22938566
Molecular FormulaC7H10Cl2N2
Molecular Weight193.08 g/mol
Exact Mass192.02
IUPAC Name5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride
SMILESCl.ClCc1cncn1C1CC1
InChIInChI=1S/C7H9ClN2.ClH/c8-3-7-4-9-5-10(7)6-1-2-6;/h4-6H,1-3H2;1H
InChIKeyBAVHAEFRFJEIGI-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclopropylimidazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride (CID 22938566) is 5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride is Cl.ClCc1cncn1C1CC1.
What is the InChIKey of 5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride?
The InChIKey is BAVHAEFRFJEIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2.ClH/c8-3-7-4-9-5-10(7)6-1-2-6;/h4-6H,1-3H2;1H.
What are the key properties of 5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride?
5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride has a molecular weight of 193.08 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-cyclopropylimidazole;hydrochloride is sourced from PubChem (CID 22938566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).