N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide

C19H19N3OS — CID 749672

IUPACN-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C19H19N3OS/c23-18(21-13-16-7-3-1-4-8-16)15-24-19-20-11-12-22(19)14-17-9-5-2-6-10-17/h1-12H,13-15H2,(H,21,23)
InChIKeyBOPDSCSSZWTPQM-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.34
Rot. Bonds7

About N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide

N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide (PubChem CID 749672) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide
PubChem CID749672
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C19H19N3OS/c23-18(21-13-16-7-3-1-4-8-16)15-24-19-20-11-12-22(19)14-17-9-5-2-6-10-17/h1-12H,13-15H2,(H,21,23)
InChIKeyBOPDSCSSZWTPQM-UHFFFAOYSA-N
XLogP3.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide (CID 749672) is N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide is O=C(CSc1nccn1Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide?
The InChIKey is BOPDSCSSZWTPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-18(21-13-16-7-3-1-4-8-16)15-24-19-20-11-12-22(19)14-17-9-5-2-6-10-17/h1-12H,13-15H2,(H,21,23).
What are the key properties of N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide?
N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide has a molecular weight of 337.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-benzylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 749672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).