3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide

C10H9FIN3OS — CID 66101919

IUPAC3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide
SMILESNC(=O)CCn1c(=S)[nH]c2cc(I)c(F)cc21
InChIInChI=1S/C10H9FIN3OS/c11-5-3-8-7(4-6(5)12)14-10(17)15(8)2-1-9(13)16/h3-4H,1-2H2,(H2,13,16)(H,14,17)
InChIKeyHWHJTKPWFZXYPC-UHFFFAOYSA-N
MW365.17 g/mol
LogP2.32
Rot. Bonds3

About 3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide

3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide (PubChem CID 66101919) has the molecular formula C10H9FIN3OS and a molecular weight of 365.17 g/mol. Its IUPAC name is 3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide
PubChem CID66101919
Molecular FormulaC10H9FIN3OS
Molecular Weight365.17 g/mol
Exact Mass364.95
IUPAC Name3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide
SMILESNC(=O)CCn1c(=S)[nH]c2cc(I)c(F)cc21
InChIInChI=1S/C10H9FIN3OS/c11-5-3-8-7(4-6(5)12)14-10(17)15(8)2-1-9(13)16/h3-4H,1-2H2,(H2,13,16)(H,14,17)
InChIKeyHWHJTKPWFZXYPC-UHFFFAOYSA-N
XLogP2.32
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide?
The IUPAC name of 3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide (CID 66101919) is 3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide.
What is the SMILES notation for 3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide?
The canonical SMILES for 3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide is NC(=O)CCn1c(=S)[nH]c2cc(I)c(F)cc21.
What is the InChIKey of 3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide?
The InChIKey is HWHJTKPWFZXYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FIN3OS/c11-5-3-8-7(4-6(5)12)14-10(17)15(8)2-1-9(13)16/h3-4H,1-2H2,(H2,13,16)(H,14,17).
What are the key properties of 3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide?
3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide has a molecular weight of 365.17 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-5-iodo-2-sulfanylidene-3H-benzimidazol-1-yl)propanamide is sourced from PubChem (CID 66101919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).