2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole

C9H12N2O — CID 14964721

IUPAC2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole
SMILESCc1cc(C2=NCCN2)c(C)o1
InChIInChI=1S/C9H12N2O/c1-6-5-8(7(2)12-6)9-10-3-4-11-9/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyYXYWBIKDCIYQFF-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.25
Rot. Bonds1

About 2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole

2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole (PubChem CID 14964721) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole
PubChem CID14964721
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole
SMILESCc1cc(C2=NCCN2)c(C)o1
InChIInChI=1S/C9H12N2O/c1-6-5-8(7(2)12-6)9-10-3-4-11-9/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyYXYWBIKDCIYQFF-UHFFFAOYSA-N
XLogP1.25
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole (CID 14964721) is 2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole is Cc1cc(C2=NCCN2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is YXYWBIKDCIYQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-5-8(7(2)12-6)9-10-3-4-11-9/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole?
2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 164.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 14964721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).