2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide

C11H11Cl2N3O2S — CID 106236090

IUPAC2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide
SMILESNC(=O)COCCn1c(=S)[nH]c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H11Cl2N3O2S/c12-6-3-8-9(4-7(6)13)16(11(19)15-8)1-2-18-5-10(14)17/h3-4H,1-2,5H2,(H2,14,17)(H,15,19)
InChIKeyRYOFDAAGSGBFRA-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.51
Rot. Bonds5

About 2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide

2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide (PubChem CID 106236090) has the molecular formula C11H11Cl2N3O2S and a molecular weight of 320.20 g/mol. Its IUPAC name is 2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide
PubChem CID106236090
Molecular FormulaC11H11Cl2N3O2S
Molecular Weight320.20 g/mol
Exact Mass318.99
IUPAC Name2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide
SMILESNC(=O)COCCn1c(=S)[nH]c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H11Cl2N3O2S/c12-6-3-8-9(4-7(6)13)16(11(19)15-8)1-2-18-5-10(14)17/h3-4H,1-2,5H2,(H2,14,17)(H,15,19)
InChIKeyRYOFDAAGSGBFRA-UHFFFAOYSA-N
XLogP2.51
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-bromo-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide
CID 106236013
2-[2-(6-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide
CID 106236115
5,6-dichloro-3-(3-propoxypropyl)-1H-benzimidazole-2-thione
CID 82944297
3-(2-but-3-enoxyethyl)-5,6-dichloro-1H-benzimidazole-2-thione
CID 106405725
5,6-dichloro-3-octyl-1H-benzimidazole-2-thione
CID 115569109
5,6-dichloro-3-(4-propan-2-yloxybutyl)-1H-benzimidazole-2-thione
CID 106005837
2-[2-(7-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide
CID 112740670
6-chloro-5-fluoro-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-benzimidazole-2-thione
CID 66078281
2-[2-(4-ethoxy-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide
CID 106236037
3-(2-but-3-enoxyethyl)-6-chloro-5-fluoro-1H-benzimidazole-2-thione
CID 106405773
6-chloro-5-fluoro-3-octyl-1H-benzimidazole-2-thione
CID 115569113
3-(5-chloro-6-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)-N-propylpropanamide
CID 66079439

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide (CID 106236090) is 2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide is NC(=O)COCCn1c(=S)[nH]c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide?
The InChIKey is RYOFDAAGSGBFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2S/c12-6-3-8-9(4-7(6)13)16(11(19)15-8)1-2-18-5-10(14)17/h3-4H,1-2,5H2,(H2,14,17)(H,15,19).
What are the key properties of 2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide?
2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide has a molecular weight of 320.20 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-dichloro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide is sourced from PubChem (CID 106236090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).