(2-((2,5-dimethylbenzyl)thio)-1-ethyl-1H-imidazol-5-yl)methanol

C15H20N2OS — CID 41158764

IUPAC[2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethylimidazol-4-yl]methanol
SMILESCCN1C(=CN=C1SCC2=C(C=CC(=C2)C)C)CO
InChIInChI=1S/C15H20N2OS/c1-4-17-14(9-18)8-16-15(17)19-10-13-7-11(2)5-6-12(13)3/h5-8,18H,4,9-10H2,1-3H3
InChIKeyARZIFEFMQCXTSV-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.50
Rot. Bonds5

About (2-((2,5-dimethylbenzyl)thio)-1-ethyl-1H-imidazol-5-yl)methanol

(2-((2,5-dimethylbenzyl)thio)-1-ethyl-1H-imidazol-5-yl)methanol (PubChem CID 41158764) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is [2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethylimidazol-4-yl]methanol.

Molecular Properties

Compound Name(2-((2,5-dimethylbenzyl)thio)-1-ethyl-1H-imidazol-5-yl)methanol
PubChem CID41158764
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name[2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethylimidazol-4-yl]methanol
SMILESCCN1C(=CN=C1SCC2=C(C=CC(=C2)C)C)CO
InChIInChI=1S/C15H20N2OS/c1-4-17-14(9-18)8-16-15(17)19-10-13-7-11(2)5-6-12(13)3/h5-8,18H,4,9-10H2,1-3H3
InChIKeyARZIFEFMQCXTSV-UHFFFAOYSA-N
XLogP2.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity277

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-((2,5-dimethylbenzyl)thio)-1-ethyl-1H-imidazol-5-yl)methanol?
The IUPAC name of (2-((2,5-dimethylbenzyl)thio)-1-ethyl-1H-imidazol-5-yl)methanol (CID 41158764) is [2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethylimidazol-4-yl]methanol.
What is the SMILES notation for (2-((2,5-dimethylbenzyl)thio)-1-ethyl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (2-((2,5-dimethylbenzyl)thio)-1-ethyl-1H-imidazol-5-yl)methanol is CCN1C(=CN=C1SCC2=C(C=CC(=C2)C)C)CO.
What is the InChIKey of (2-((2,5-dimethylbenzyl)thio)-1-ethyl-1H-imidazol-5-yl)methanol?
The InChIKey is ARZIFEFMQCXTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-17-14(9-18)8-16-15(17)19-10-13-7-11(2)5-6-12(13)3/h5-8,18H,4,9-10H2,1-3H3.
What are the key properties of (2-((2,5-dimethylbenzyl)thio)-1-ethyl-1H-imidazol-5-yl)methanol?
(2-((2,5-dimethylbenzyl)thio)-1-ethyl-1H-imidazol-5-yl)methanol has a molecular weight of 276.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-((2,5-dimethylbenzyl)thio)-1-ethyl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 41158764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).