2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

C10H11N3O2S — CID 606455

IUPAC2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(N)=O)[nH]c2c1
InChIInChI=1S/C10H11N3O2S/c1-15-6-2-3-7-8(4-6)13-10(12-7)16-5-9(11)14/h2-4H,5H2,1H3,(H2,11,14)(H,12,13)
InChIKeyNJWPPUBETYAOLQ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.15
Rot. Bonds4

About 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 606455) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID606455
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(N)=O)[nH]c2c1
InChIInChI=1S/C10H11N3O2S/c1-15-6-2-3-7-8(4-6)13-10(12-7)16-5-9(11)14/h2-4H,5H2,1H3,(H2,11,14)(H,12,13)
InChIKeyNJWPPUBETYAOLQ-UHFFFAOYSA-N
XLogP1.15
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 606455) is 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1ccc2nc(SCC(N)=O)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is NJWPPUBETYAOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-15-6-2-3-7-8(4-6)13-10(12-7)16-5-9(11)14/h2-4H,5H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 237.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 606455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).