N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C19H19N3O2S — CID 3241142

IUPACN-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H19N3O2S/c1-24-17-9-5-8-16(12-17)22-11-10-20-19(22)25-14-18(23)21-13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3,(H,21,23)
InChIKeyTVKAIBDRBGTFER-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.29
Rot. Bonds7

About N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3241142) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3241142
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H19N3O2S/c1-24-17-9-5-8-16(12-17)22-11-10-20-19(22)25-14-18(23)21-13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3,(H,21,23)
InChIKeyTVKAIBDRBGTFER-UHFFFAOYSA-N
XLogP3.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 3241142) is N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1cccc(-n2ccnc2SCC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is TVKAIBDRBGTFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-24-17-9-5-8-16(12-17)22-11-10-20-19(22)25-14-18(23)21-13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3,(H,21,23).
What are the key properties of N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 353.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3241142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).