5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole

C12H14N2OS — CID 46888007

IUPAC5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole
SMILESCOc1ccc(SCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N2OS/c1-15-11-2-4-12(5-3-11)16-7-6-10-8-13-9-14-10/h2-5,8-9H,6-7H2,1H3,(H,13,14)
InChIKeyMFQHSSADNRVZAE-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.75
Rot. Bonds5

About 5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole

5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole (PubChem CID 46888007) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole
PubChem CID46888007
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole
SMILESCOc1ccc(SCCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N2OS/c1-15-11-2-4-12(5-3-11)16-7-6-10-8-13-9-14-10/h2-5,8-9H,6-7H2,1H3,(H,13,14)
InChIKeyMFQHSSADNRVZAE-UHFFFAOYSA-N
XLogP2.75
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole?
The IUPAC name of 5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole (CID 46888007) is 5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole?
The canonical SMILES for 5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole is COc1ccc(SCCc2cnc[nH]2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole?
The InChIKey is MFQHSSADNRVZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-15-11-2-4-12(5-3-11)16-7-6-10-8-13-9-14-10/h2-5,8-9H,6-7H2,1H3,(H,13,14).
What are the key properties of 5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole?
5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole has a molecular weight of 234.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)sulfanylethyl]-1H-imidazole is sourced from PubChem (CID 46888007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).