5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole

C19H20N2OS — CID 50953113

IUPAC5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole
SMILESc1ccc(-c2ncn(CCc3cccs3)c2C2CCOC2)cc1
InChIInChI=1S/C19H20N2OS/c1-2-5-15(6-3-1)18-19(16-9-11-22-13-16)21(14-20-18)10-8-17-7-4-12-23-17/h1-7,12,14,16H,8-11,13H2
InChIKeyRIJZGVSFNQKCCW-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.36
Rot. Bonds5

About 5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole

5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole (PubChem CID 50953113) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole.

Molecular Properties

Compound Name5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole
PubChem CID50953113
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole
SMILESc1ccc(-c2ncn(CCc3cccs3)c2C2CCOC2)cc1
InChIInChI=1S/C19H20N2OS/c1-2-5-15(6-3-1)18-19(16-9-11-22-13-16)21(14-20-18)10-8-17-7-4-12-23-17/h1-7,12,14,16H,8-11,13H2
InChIKeyRIJZGVSFNQKCCW-UHFFFAOYSA-N
XLogP4.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[2-[5-[(3R)-oxolan-3-yl]-4-phenylimidazol-1-yl]ethylamino]-1H-pyrimidin-6-one
CID 136907609
N-(2,4-dimethylphenyl)-3-[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]propanamide
CID 95143087
[5-[[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 154767354
4-methyl-2-[[5-[(3S)-oxolan-3-yl]-4-phenylimidazol-1-yl]methyl]-1,3-benzoxazole
CID 95136288
1-(2-methylsulfonylethyl)-4-phenyl-5-spiro[2.2]pentan-2-ylimidazole
CID 154843244
3-(oxolan-3-yl)-5-(3-thiophen-2-ylpropyl)-1,2,4-oxadiazole
CID 71920891
3-[2-[2-(oxolan-3-yl)imidazol-1-yl]ethyl]-5-phenyl-1,2,4-oxadiazole
CID 70760707
6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114582136
5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114583003
1-methyl-3-(oxolan-3-yl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-carboxamide
CID 128965565
1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 90610643
1-methyl-3-[(3S)-oxolan-3-yl]-N-[(2R)-1-thiophen-2-ylpropan-2-yl]pyrazole-4-carboxamide
CID 129471970

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole?
The IUPAC name of 5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole (CID 50953113) is 5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole.
What is the SMILES notation for 5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole?
The canonical SMILES for 5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole is c1ccc(-c2ncn(CCc3cccs3)c2C2CCOC2)cc1.
What is the InChIKey of 5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole?
The InChIKey is RIJZGVSFNQKCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-2-5-15(6-3-1)18-19(16-9-11-22-13-16)21(14-20-18)10-8-17-7-4-12-23-17/h1-7,12,14,16H,8-11,13H2.
What are the key properties of 5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole?
5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole has a molecular weight of 324.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)-4-phenyl-1-(2-thiophen-2-ylethyl)imidazole is sourced from PubChem (CID 50953113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).