2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide

C9H8FN3OS — CID 60789974

IUPAC2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
SMILESNC(=O)Cn1c(=S)[nH]c2c(F)cccc21
InChIInChI=1S/C9H8FN3OS/c10-5-2-1-3-6-8(5)12-9(15)13(6)4-7(11)14/h1-3H,4H2,(H2,11,14)(H,12,15)
InChIKeyMGKWOSZWKBBIMP-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.32
Rot. Bonds2

About 2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide

2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide (PubChem CID 60789974) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
PubChem CID60789974
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
SMILESNC(=O)Cn1c(=S)[nH]c2c(F)cccc21
InChIInChI=1S/C9H8FN3OS/c10-5-2-1-3-6-8(5)12-9(15)13(6)4-7(11)14/h1-3H,4H2,(H2,11,14)(H,12,15)
InChIKeyMGKWOSZWKBBIMP-UHFFFAOYSA-N
XLogP1.32
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetic acid
CID 69319212
3-[2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)ethyl]-1,1-dimethylurea
CID 83114777
7-fluoro-3-[(1-propan-2-ylcyclopropyl)methyl]-1H-benzimidazole-2-thione
CID 114113671
7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione
CID 60789505
3-[(2,5-difluorophenyl)methyl]-7-fluoro-1H-benzimidazole-2-thione
CID 63795000
2-(5-fluoro-2-oxoquinolin-1-yl)acetamide
CID 91216438
7-fluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 63330061
3-[2-[ethyl(methyl)amino]ethyl]-7-fluoro-1H-benzimidazole-2-thione
CID 62641636
5-(4-chloro-2-sulfanylidene-3H-benzimidazol-1-yl)pentanamide
CID 106235969
7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione
CID 54953635
7-fluoro-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 63823899
7-fluoro-3-(thian-2-ylmethyl)-1H-benzimidazole-2-thione
CID 80612911

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of 2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide (CID 60789974) is 2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for 2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for 2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide is NC(=O)Cn1c(=S)[nH]c2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide?
The InChIKey is MGKWOSZWKBBIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c10-5-2-1-3-6-8(5)12-9(15)13(6)4-7(11)14/h1-3H,4H2,(H2,11,14)(H,12,15).
What are the key properties of 2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide?
2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 60789974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).