4-(furan-2-yl)-4-methylimidazole

C8H8N2O — CID 174616774

IUPAC4-(furan-2-yl)-4-methylimidazole
SMILESCC1(c2ccco2)C=NC=N1
InChIInChI=1S/C8H8N2O/c1-8(5-9-6-10-8)7-3-2-4-11-7/h2-6H,1H3
InChIKeyTXSISXYCWYJXLS-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.61
Rot. Bonds1

About 4-(furan-2-yl)-4-methylimidazole

4-(furan-2-yl)-4-methylimidazole (PubChem CID 174616774) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 4-(furan-2-yl)-4-methylimidazole.

Molecular Properties

Compound Name4-(furan-2-yl)-4-methylimidazole
PubChem CID174616774
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name4-(furan-2-yl)-4-methylimidazole
SMILESCC1(c2ccco2)C=NC=N1
InChIInChI=1S/C8H8N2O/c1-8(5-9-6-10-8)7-3-2-4-11-7/h2-6H,1H3
InChIKeyTXSISXYCWYJXLS-UHFFFAOYSA-N
XLogP1.61
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-4-methylimidazole?
The IUPAC name of 4-(furan-2-yl)-4-methylimidazole (CID 174616774) is 4-(furan-2-yl)-4-methylimidazole.
What is the SMILES notation for 4-(furan-2-yl)-4-methylimidazole?
The canonical SMILES for 4-(furan-2-yl)-4-methylimidazole is CC1(c2ccco2)C=NC=N1.
What is the InChIKey of 4-(furan-2-yl)-4-methylimidazole?
The InChIKey is TXSISXYCWYJXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-8(5-9-6-10-8)7-3-2-4-11-7/h2-6H,1H3.
What are the key properties of 4-(furan-2-yl)-4-methylimidazole?
4-(furan-2-yl)-4-methylimidazole has a molecular weight of 148.16 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-4-methylimidazole is sourced from PubChem (CID 174616774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).