5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole

C12H14N2OS — CID 116883734

IUPAC5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole
SMILESCCSc1ccc(-c2cnc(OC)[nH]2)cc1
InChIInChI=1S/C12H14N2OS/c1-3-16-10-6-4-9(5-7-10)11-8-13-12(14-11)15-2/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyCBNUIXAUTHNDRC-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.20
Rot. Bonds4

About 5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole

5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole (PubChem CID 116883734) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole.

Molecular Properties

Compound Name5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole
PubChem CID116883734
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole
SMILESCCSc1ccc(-c2cnc(OC)[nH]2)cc1
InChIInChI=1S/C12H14N2OS/c1-3-16-10-6-4-9(5-7-10)11-8-13-12(14-11)15-2/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyCBNUIXAUTHNDRC-UHFFFAOYSA-N
XLogP3.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole?
The IUPAC name of 5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole (CID 116883734) is 5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole.
What is the SMILES notation for 5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole?
The canonical SMILES for 5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole is CCSc1ccc(-c2cnc(OC)[nH]2)cc1.
What is the InChIKey of 5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole?
The InChIKey is CBNUIXAUTHNDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-16-10-6-4-9(5-7-10)11-8-13-12(14-11)15-2/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole?
5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole has a molecular weight of 234.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole is sourced from PubChem (CID 116883734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).