3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol

C18H20N2O2S — CID 134376661

IUPAC3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol
SMILESCc1cscc1-c1ncn(Cc2cccc(O)c2)c1CC(C)O
InChIInChI=1S/C18H20N2O2S/c1-12-9-23-10-16(12)18-17(6-13(2)21)20(11-19-18)8-14-4-3-5-15(22)7-14/h3-5,7,9-11,13,21-22H,6,8H2,1-2H3
InChIKeyINUVPVGJRTZCDP-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.60
Rot. Bonds5

About 3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol

3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol (PubChem CID 134376661) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol
PubChem CID134376661
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol
SMILESCc1cscc1-c1ncn(Cc2cccc(O)c2)c1CC(C)O
InChIInChI=1S/C18H20N2O2S/c1-12-9-23-10-16(12)18-17(6-13(2)21)20(11-19-18)8-14-4-3-5-15(22)7-14/h3-5,7,9-11,13,21-22H,6,8H2,1-2H3
InChIKeyINUVPVGJRTZCDP-UHFFFAOYSA-N
XLogP3.60
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[[4-(3-Fluoro-5-methylphenyl)-5-(2-hydroxypropyl)imidazol-1-yl]methyl]phenol
CID 159547466
1-[3-(3-Ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole
CID 18755575
1-[3-(3-Methoxyphenyl)propyl]-4-thiophen-3-ylimidazole
CID 18755586
2-[2-[(3,5-Dimethylimidazol-4-yl)methyl]-1,3-thiazol-4-yl]phenol
CID 19860539

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol (CID 134376661) is 3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol is Cc1cscc1-c1ncn(Cc2cccc(O)c2)c1CC(C)O.
What is the InChIKey of 3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol?
The InChIKey is INUVPVGJRTZCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12-9-23-10-16(12)18-17(6-13(2)21)20(11-19-18)8-14-4-3-5-15(22)7-14/h3-5,7,9-11,13,21-22H,6,8H2,1-2H3.
What are the key properties of 3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol?
3-[[5-(2-hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol has a molecular weight of 328.44 g/mol, XLogP of 3.60, 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-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 134376661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).