7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione

C12H9FN2S2 — CID 60789505

IUPAC7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione
SMILESFc1cccc2c1[nH]c(=S)n2Cc1cccs1
InChIInChI=1S/C12H9FN2S2/c13-9-4-1-5-10-11(9)14-12(16)15(10)7-8-3-2-6-17-8/h1-6H,7H2,(H,14,16)
InChIKeyRSHBUWQUKHVQJW-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.95
Rot. Bonds2

About 7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione

7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione (PubChem CID 60789505) has the molecular formula C12H9FN2S2 and a molecular weight of 264.35 g/mol. Its IUPAC name is 7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione
PubChem CID60789505
Molecular FormulaC12H9FN2S2
Molecular Weight264.35 g/mol
Exact Mass264.02
IUPAC Name7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione
SMILESFc1cccc2c1[nH]c(=S)n2Cc1cccs1
InChIInChI=1S/C12H9FN2S2/c13-9-4-1-5-10-11(9)14-12(16)15(10)7-8-3-2-6-17-8/h1-6H,7H2,(H,14,16)
InChIKeyRSHBUWQUKHVQJW-UHFFFAOYSA-N
XLogP3.95
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione
CID 66087630
3-[(2,5-difluorophenyl)methyl]-7-fluoro-1H-benzimidazole-2-thione
CID 63795000
7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione
CID 113458929
7-fluoro-3-(2-thiophen-3-ylethyl)-1H-benzimidazole-2-thione
CID 54953635
2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetic acid
CID 69319212
2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
CID 60789974
7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione
CID 63546020
7-fluoro-3-(thian-2-ylmethyl)-1H-benzimidazole-2-thione
CID 80612911
7-fluoro-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 63823899
3-[2-[ethyl(methyl)amino]ethyl]-7-fluoro-1H-benzimidazole-2-thione
CID 62641636
7-fluoro-3-[(2-methoxy-4-pyridinyl)methyl]-1H-benzimidazole-2-thione
CID 62990878
3-ethyl-1-methyl-6-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79302713

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione?
The IUPAC name of 7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione (CID 60789505) is 7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione is Fc1cccc2c1[nH]c(=S)n2Cc1cccs1.
What is the InChIKey of 7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione?
The InChIKey is RSHBUWQUKHVQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2S2/c13-9-4-1-5-10-11(9)14-12(16)15(10)7-8-3-2-6-17-8/h1-6H,7H2,(H,14,16).
What are the key properties of 7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione?
7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione has a molecular weight of 264.35 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(thiophen-2-ylmethyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 60789505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).