2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole

C17H16N2OS — CID 56907677

IUPAC2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole
SMILESc1coc(-c2ccccc2-c2nccn2C2CCSC2)c1
InChIInChI=1S/C17H16N2OS/c1-2-5-15(14(4-1)16-6-3-10-20-16)17-18-8-9-19(17)13-7-11-21-12-13/h1-6,8-10,13H,7,11-12H2
InChIKeyFIUXZLODVDELRW-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.49
Rot. Bonds3

About 2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole

2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole (PubChem CID 56907677) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole.

Molecular Properties

Compound Name2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole
PubChem CID56907677
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole
SMILESc1coc(-c2ccccc2-c2nccn2C2CCSC2)c1
InChIInChI=1S/C17H16N2OS/c1-2-5-15(14(4-1)16-6-3-10-20-16)17-18-8-9-19(17)13-7-11-21-12-13/h1-6,8-10,13H,7,11-12H2
InChIKeyFIUXZLODVDELRW-UHFFFAOYSA-N
XLogP4.49
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(thiolan-3-yl)imidazol-2-yl]pyridine
CID 155910854
1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole
CID 70750809
4-[2-(furan-2-yl)imidazol-1-yl]-1-phenylpyrrolidin-2-one
CID 156587008
1-ethyl-2-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]imidazole
CID 56918946
1-(thiolan-3-yl)imidazole-2-carboxylic acid
CID 84733611
2-(furan-2-yl)-1-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]imidazole
CID 155913855
N-propyl-1-(thiolan-3-yl)imidazol-2-amine
CID 106583171
2-[2-(furan-2-yl)phenyl]pyridine
CID 168525808
2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164214
N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583170
2-bromo-1-(thian-3-yl)imidazole
CID 84737479
3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide
CID 70746811

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole?
The IUPAC name of 2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole (CID 56907677) is 2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole.
What is the SMILES notation for 2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole?
The canonical SMILES for 2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole is c1coc(-c2ccccc2-c2nccn2C2CCSC2)c1.
What is the InChIKey of 2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole?
The InChIKey is FIUXZLODVDELRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-2-5-15(14(4-1)16-6-3-10-20-16)17-18-8-9-19(17)13-7-11-21-12-13/h1-6,8-10,13H,7,11-12H2.
What are the key properties of 2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole?
2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole has a molecular weight of 296.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole is sourced from PubChem (CID 56907677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).