2-(furan-2-yl)-4,5-dihydro-1H-imidazole

C7H8N2O — CID 840808

IUPAC2-(furan-2-yl)-4,5-dihydro-1H-imidazole
SMILESc1coc(C2=NCCN2)c1
InChIInChI=1S/C7H8N2O/c1-2-6(10-5-1)7-8-3-4-9-7/h1-2,5H,3-4H2,(H,8,9)
InChIKeyIOTMYJAUZMRWCJ-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.63
Rot. Bonds1

About 2-(furan-2-yl)-4,5-dihydro-1H-imidazole

2-(furan-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 840808) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2-(furan-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID840808
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2-(furan-2-yl)-4,5-dihydro-1H-imidazole
SMILESc1coc(C2=NCCN2)c1
InChIInChI=1S/C7H8N2O/c1-2-6(10-5-1)7-8-3-4-9-7/h1-2,5H,3-4H2,(H,8,9)
InChIKeyIOTMYJAUZMRWCJ-UHFFFAOYSA-N
XLogP0.63
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(furan-2-yl)-4,5-dihydro-1H-imidazole (CID 840808) is 2-(furan-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(furan-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(furan-2-yl)-4,5-dihydro-1H-imidazole is c1coc(C2=NCCN2)c1.
What is the InChIKey of 2-(furan-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is IOTMYJAUZMRWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-6(10-5-1)7-8-3-4-9-7/h1-2,5H,3-4H2,(H,8,9).
What are the key properties of 2-(furan-2-yl)-4,5-dihydro-1H-imidazole?
2-(furan-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 136.15 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 840808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).