2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol

C20H22N2O2S — CID 50957342

IUPAC2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol
SMILESOCCn1cnc(-c2ccccc2)c1-c1ccc(C2CCCCO2)s1
InChIInChI=1S/C20H22N2O2S/c23-12-11-22-14-21-19(15-6-2-1-3-7-15)20(22)18-10-9-17(25-18)16-8-4-5-13-24-16/h1-3,6-7,9-10,14,16,23H,4-5,8,11-13H2
InChIKeyHZMPZGCELSKZQP-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.51
Rot. Bonds5

About 2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol

2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol (PubChem CID 50957342) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol
PubChem CID50957342
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol
SMILESOCCn1cnc(-c2ccccc2)c1-c1ccc(C2CCCCO2)s1
InChIInChI=1S/C20H22N2O2S/c23-12-11-22-14-21-19(15-6-2-1-3-7-15)20(22)18-10-9-17(25-18)16-8-4-5-13-24-16/h1-3,6-7,9-10,14,16,23H,4-5,8,11-13H2
InChIKeyHZMPZGCELSKZQP-UHFFFAOYSA-N
XLogP4.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5aR,6S)-1-(4-Fluorophenyl)-6-((S)-1-methoxy-1-(thiophen-2-yl)-ethyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinoline
CID 45486484
3-(5-methylpyrazin-2-yl)-7-[[5-(oxan-2-yl)thiophen-2-yl]methyl]-1-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 45160591
3-[5-[3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5-phenylimidazol-4-yl]thiophen-2-yl]prop-2-yn-1-ol
CID 95123584
[(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
CID 95143517
1-(4-fluorophenyl)-6-(1-methoxy-1-thiophen-2-ylethyl)-5a-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-b]isoquinoline
CID 75116540
2-{4-phenyl-5-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]-1H-imidazol-1-yl}ethanol
CID 50949049
4-{3-[4-phenyl-5-(3-thienyl)-1H-imidazol-1-yl]butyl}morpholine
CID 50958522
(3-{2-[5-(tetrahydro-2H-pyran-2-yl)-2-thienyl]-1H-imidazol-1-yl}phenyl)methanol
CID 56897423
(2,5-Diethylthien-3-yl)-1-trityl-imidazol-4-yl-methanol
CID 10696020
(2,5-Dimethylthien-3-yl)-1-trityl-imidazol-4-yl-methanol
CID 11797817
1-(1-Ethoxyethyl)-5-(4-methylthiophen-2-yl)-4-phenylimidazole
CID 20244163
5-[[5-[Methoxy-(4-methylphenyl)methyl]imidazol-1-yl]methyl]-3-methyl-2-(5-methylthiophen-3-yl)pyridine
CID 53841990

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol (CID 50957342) is 2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol is OCCn1cnc(-c2ccccc2)c1-c1ccc(C2CCCCO2)s1.
What is the InChIKey of 2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol?
The InChIKey is HZMPZGCELSKZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-12-11-22-14-21-19(15-6-2-1-3-7-15)20(22)18-10-9-17(25-18)16-8-4-5-13-24-16/h1-3,6-7,9-10,14,16,23H,4-5,8,11-13H2.
What are the key properties of 2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol?
2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol has a molecular weight of 354.48 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(oxan-2-yl)thiophen-2-yl]-4-phenylimidazol-1-yl]ethanol is sourced from PubChem (CID 50957342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).