6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione

C14H10F2N2S — CID 55221176

IUPAC6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1c(F)cccc1-n1c(=S)[nH]c2cc(F)ccc21
InChIInChI=1S/C14H10F2N2S/c1-8-10(16)3-2-4-12(8)18-13-6-5-9(15)7-11(13)17-14(18)19/h2-7H,1H3,(H,17,19)
InChIKeyURERHWQWOJOELQ-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.27
Rot. Bonds1

About 6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione

6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione (PubChem CID 55221176) has the molecular formula C14H10F2N2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
PubChem CID55221176
Molecular FormulaC14H10F2N2S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1c(F)cccc1-n1c(=S)[nH]c2cc(F)ccc21
InChIInChI=1S/C14H10F2N2S/c1-8-10(16)3-2-4-12(8)18-13-6-5-9(15)7-11(13)17-14(18)19/h2-7H,1H3,(H,17,19)
InChIKeyURERHWQWOJOELQ-UHFFFAOYSA-N
XLogP4.27
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione (CID 55221176) is 6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione is Cc1c(F)cccc1-n1c(=S)[nH]c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
The InChIKey is URERHWQWOJOELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2S/c1-8-10(16)3-2-4-12(8)18-13-6-5-9(15)7-11(13)17-14(18)19/h2-7H,1H3,(H,17,19).
What are the key properties of 6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione has a molecular weight of 276.31 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 55221176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).