2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid

C12H12N2O3S — CID 4961828

IUPAC2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid
SMILESCOc1ccc(-n2ccnc2SCC(=O)O)cc1
InChIInChI=1S/C12H12N2O3S/c1-17-10-4-2-9(3-5-10)14-7-6-13-12(14)18-8-11(15)16/h2-7H,8H2,1H3,(H,15,16)
InChIKeyZMFGORYEWJIPFJ-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.06
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid

2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid (PubChem CID 4961828) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid
PubChem CID4961828
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid
SMILESCOc1ccc(-n2ccnc2SCC(=O)O)cc1
InChIInChI=1S/C12H12N2O3S/c1-17-10-4-2-9(3-5-10)14-7-6-13-12(14)18-8-11(15)16/h2-7H,8H2,1H3,(H,15,16)
InChIKeyZMFGORYEWJIPFJ-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid (CID 4961828) is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid is COc1ccc(-n2ccnc2SCC(=O)O)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid?
The InChIKey is ZMFGORYEWJIPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-10-4-2-9(3-5-10)14-7-6-13-12(14)18-8-11(15)16/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid?
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid has a molecular weight of 264.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetic acid is sourced from PubChem (CID 4961828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).