5-chloro-2-(furan-2-yl)-1-methylimidazole

C8H7ClN2O — CID 117259184

IUPAC5-chloro-2-(furan-2-yl)-1-methylimidazole
SMILESCn1c(Cl)cnc1-c1ccco1
InChIInChI=1S/C8H7ClN2O/c1-11-7(9)5-10-8(11)6-3-2-4-12-6/h2-5H,1H3
InChIKeyLDUORKGIIYIVNM-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.33
Rot. Bonds1

About 5-chloro-2-(furan-2-yl)-1-methylimidazole

5-chloro-2-(furan-2-yl)-1-methylimidazole (PubChem CID 117259184) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 5-chloro-2-(furan-2-yl)-1-methylimidazole.

Molecular Properties

Compound Name5-chloro-2-(furan-2-yl)-1-methylimidazole
PubChem CID117259184
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name5-chloro-2-(furan-2-yl)-1-methylimidazole
SMILESCn1c(Cl)cnc1-c1ccco1
InChIInChI=1S/C8H7ClN2O/c1-11-7(9)5-10-8(11)6-3-2-4-12-6/h2-5H,1H3
InChIKeyLDUORKGIIYIVNM-UHFFFAOYSA-N
XLogP2.33
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(furan-2-yl)-1-methylimidazole?
The IUPAC name of 5-chloro-2-(furan-2-yl)-1-methylimidazole (CID 117259184) is 5-chloro-2-(furan-2-yl)-1-methylimidazole.
What is the SMILES notation for 5-chloro-2-(furan-2-yl)-1-methylimidazole?
The canonical SMILES for 5-chloro-2-(furan-2-yl)-1-methylimidazole is Cn1c(Cl)cnc1-c1ccco1.
What is the InChIKey of 5-chloro-2-(furan-2-yl)-1-methylimidazole?
The InChIKey is LDUORKGIIYIVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-11-7(9)5-10-8(11)6-3-2-4-12-6/h2-5H,1H3.
What are the key properties of 5-chloro-2-(furan-2-yl)-1-methylimidazole?
5-chloro-2-(furan-2-yl)-1-methylimidazole has a molecular weight of 182.61 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(furan-2-yl)-1-methylimidazole is sourced from PubChem (CID 117259184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).