2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide

C21H24N4OS — CID 5279311

IUPAC2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(C)c1nc(SCC(N)=O)n(Cc2ccncc2)c1Cc1ccccc1
InChIInChI=1S/C21H24N4OS/c1-15(2)20-18(12-16-6-4-3-5-7-16)25(13-17-8-10-23-11-9-17)21(24-20)27-14-19(22)26/h3-11,15H,12-14H2,1-2H3,(H2,22,26)
InChIKeyLJIUERIOCAPZTC-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.62
Rot. Bonds8

About 2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide

2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 5279311) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide
PubChem CID5279311
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(C)c1nc(SCC(N)=O)n(Cc2ccncc2)c1Cc1ccccc1
InChIInChI=1S/C21H24N4OS/c1-15(2)20-18(12-16-6-4-3-5-7-16)25(13-17-8-10-23-11-9-17)21(24-20)27-14-19(22)26/h3-11,15H,12-14H2,1-2H3,(H2,22,26)
InChIKeyLJIUERIOCAPZTC-UHFFFAOYSA-N
XLogP3.62
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide (CID 5279311) is 2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide is CC(C)c1nc(SCC(N)=O)n(Cc2ccncc2)c1Cc1ccccc1.
What is the InChIKey of 2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is LJIUERIOCAPZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15(2)20-18(12-16-6-4-3-5-7-16)25(13-17-8-10-23-11-9-17)21(24-20)27-14-19(22)26/h3-11,15H,12-14H2,1-2H3,(H2,22,26).
What are the key properties of 2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide?
2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 380.52 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-benzyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 5279311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).