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

C12H13N3OS — CID 747727

IUPAC2-(1-benzylimidazol-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nccn1Cc1ccccc1
InChIInChI=1S/C12H13N3OS/c13-11(16)9-17-12-14-6-7-15(12)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,16)
InChIKeyOOZREFZGWLYLTM-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.51
Rot. Bonds5

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

2-(1-benzylimidazol-2-yl)sulfanylacetamide (PubChem CID 747727) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)sulfanylacetamide
PubChem CID747727
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-(1-benzylimidazol-2-yl)sulfanylacetamide
SMILESNC(=O)CSc1nccn1Cc1ccccc1
InChIInChI=1S/C12H13N3OS/c13-11(16)9-17-12-14-6-7-15(12)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,16)
InChIKeyOOZREFZGWLYLTM-UHFFFAOYSA-N
XLogP1.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanylacetamide (CID 747727) is 2-(1-benzylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)sulfanylacetamide is NC(=O)CSc1nccn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)sulfanylacetamide?
The InChIKey is OOZREFZGWLYLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-11(16)9-17-12-14-6-7-15(12)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,13,16).
What are the key properties of 2-(1-benzylimidazol-2-yl)sulfanylacetamide?
2-(1-benzylimidazol-2-yl)sulfanylacetamide has a molecular weight of 247.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 747727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).