3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol

C17H18N2O2S — CID 134376770

IUPAC3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol
SMILESCC(O)Cc1c(-c2ccsc2)ncn1Cc1cccc(O)c1
InChIInChI=1S/C17H18N2O2S/c1-12(20)7-16-17(14-5-6-22-10-14)18-11-19(16)9-13-3-2-4-15(21)8-13/h2-6,8,10-12,20-21H,7,9H2,1H3
InChIKeyDGCNUVIDLYBXID-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.29
Rot. Bonds5

About 3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol

3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol (PubChem CID 134376770) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol
PubChem CID134376770
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol
SMILESCC(O)Cc1c(-c2ccsc2)ncn1Cc1cccc(O)c1
InChIInChI=1S/C17H18N2O2S/c1-12(20)7-16-17(14-5-6-22-10-14)18-11-19(16)9-13-3-2-4-15(21)8-13/h2-6,8,10-12,20-21H,7,9H2,1H3
InChIKeyDGCNUVIDLYBXID-UHFFFAOYSA-N
XLogP3.29
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(2-Thienyl)imidazo [1,2-a]pyrazin-3-yl]phenol
CID 117769781
3-[6-(3-Thienyl)imidazo [1,2-a]pyrazin-3-yl]phenol
CID 126672810
2-Fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol
CID 134376596
2-Fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol
CID 134376624
3-Fluoro-5-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol
CID 134376626
3-[[4-(3-Fluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol
CID 134376651
3-[[4-(3,5-Difluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol
CID 134376735
3-[[4-(4-Fluorophenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol
CID 134376872
4-Fluoro-3-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]phenol
CID 134377075
4-(2-Methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole
CID 52931629
4-(2-Methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-5-thiophen-2-ylimidazole;2,2,2-trifluoroacetic acid
CID 90661530
3-[[4-(3-Fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol
CID 159547466

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol (CID 134376770) is 3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol is CC(O)Cc1c(-c2ccsc2)ncn1Cc1cccc(O)c1.
What is the InChIKey of 3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol?
The InChIKey is DGCNUVIDLYBXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12(20)7-16-17(14-5-6-22-10-14)18-11-19(16)9-13-3-2-4-15(21)8-13/h2-6,8,10-12,20-21H,7,9H2,1H3.
What are the key properties of 3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol?
3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol has a molecular weight of 314.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol is sourced from PubChem (CID 134376770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).