[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol

C16H16N2O2S — CID 155902159

IUPAC[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol
SMILESCOc1cccc(-c2cnc(C(O)c3sccc3C)[nH]2)c1
InChIInChI=1S/C16H16N2O2S/c1-10-6-7-21-15(10)14(19)16-17-9-13(18-16)11-4-3-5-12(8-11)20-2/h3-9,14,19H,1-2H3,(H,17,18)
InChIKeyGXJOQZIAURRCJZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.54
Rot. Bonds4

About [5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol

[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol (PubChem CID 155902159) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol
PubChem CID155902159
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol
SMILESCOc1cccc(-c2cnc(C(O)c3sccc3C)[nH]2)c1
InChIInChI=1S/C16H16N2O2S/c1-10-6-7-21-15(10)14(19)16-17-9-13(18-16)11-4-3-5-12(8-11)20-2/h3-9,14,19H,1-2H3,(H,17,18)
InChIKeyGXJOQZIAURRCJZ-UHFFFAOYSA-N
XLogP3.54
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
(3-chloro-5-fluorophenyl)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 46943479
2-amino-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 116881507
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230758
(2,5-dimethoxyphenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46942878
2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
2-chloro-N-[1-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethyl]acetamide;hydrochloride
CID 146085855
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879358
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116876810
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine
CID 60846812
2-(1H-imidazol-2-yl)-5-(3-methoxyphenyl)-1H-imidazole
CID 19696853

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol?
The IUPAC name of [5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol (CID 155902159) is [5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for [5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for [5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol is COc1cccc(-c2cnc(C(O)c3sccc3C)[nH]2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol?
The InChIKey is GXJOQZIAURRCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-6-7-21-15(10)14(19)16-17-9-13(18-16)11-4-3-5-12(8-11)20-2/h3-9,14,19H,1-2H3,(H,17,18).
What are the key properties of [5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol?
[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol has a molecular weight of 300.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1H-imidazol-2-yl]-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 155902159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).