chloroethane;1-methylimidazole

C6H11ClN2 — CID 67152789

IUPACchloroethane;1-methylimidazole
SMILESCCCl.Cn1ccnc1
InChIInChI=1S/C4H6N2.C2H5Cl/c1-6-3-2-5-4-6;1-2-3/h2-4H,1H3;2H2,1H3
InChIKeyMGFYFCSBZOXCHM-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.67
Rot. Bonds

About chloroethane;1-methylimidazole

chloroethane;1-methylimidazole (PubChem CID 67152789) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is chloroethane;1-methylimidazole.

Molecular Properties

Compound Namechloroethane;1-methylimidazole
PubChem CID67152789
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Namechloroethane;1-methylimidazole
SMILESCCCl.Cn1ccnc1
InChIInChI=1S/C4H6N2.C2H5Cl/c1-6-3-2-5-4-6;1-2-3/h2-4H,1H3;2H2,1H3
InChIKeyMGFYFCSBZOXCHM-UHFFFAOYSA-N
XLogP1.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.67
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

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barium(2+);ethane;1-methylimidazole;difluoride
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Frequently Asked Questions

What is the IUPAC name of chloroethane;1-methylimidazole?
The IUPAC name of chloroethane;1-methylimidazole (CID 67152789) is chloroethane;1-methylimidazole.
What is the SMILES notation for chloroethane;1-methylimidazole?
The canonical SMILES for chloroethane;1-methylimidazole is CCCl.Cn1ccnc1.
What is the InChIKey of chloroethane;1-methylimidazole?
The InChIKey is MGFYFCSBZOXCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2H5Cl/c1-6-3-2-5-4-6;1-2-3/h2-4H,1H3;2H2,1H3.
What are the key properties of chloroethane;1-methylimidazole?
chloroethane;1-methylimidazole has a molecular weight of 146.62 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;1-methylimidazole is sourced from PubChem (CID 67152789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).