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

C14H11FN2S — CID 43660815

IUPAC6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1cccc(-n2c(=S)[nH]c3cc(F)ccc32)c1
InChIInChI=1S/C14H11FN2S/c1-9-3-2-4-11(7-9)17-13-6-5-10(15)8-12(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyBUQVMIBGAJRXQX-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.14
Rot. Bonds1

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

6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione (PubChem CID 43660815) has the molecular formula C14H11FN2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione
PubChem CID43660815
Molecular FormulaC14H11FN2S
Molecular Weight258.32 g/mol
Exact Mass258.06
IUPAC Name6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1cccc(-n2c(=S)[nH]c3cc(F)ccc32)c1
InChIInChI=1S/C14H11FN2S/c1-9-3-2-4-11(7-9)17-13-6-5-10(15)8-12(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKeyBUQVMIBGAJRXQX-UHFFFAOYSA-N
XLogP4.14
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethoxy-3-(3-methylphenyl)-1H-benzimidazole-2-thione
CID 83005907
6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 55221176
3-(3-fluorophenyl)-1H-benzimidazole-2-thione
CID 29067670
3-(4-tert-butylphenyl)-6-fluoro-1H-benzimidazole-2-thione
CID 43660359
3-(3,4-dimethoxyphenyl)-6-fluoro-1H-benzimidazole-2-thione
CID 43660460
3-(4-bromophenyl)-6-fluoro-1H-benzimidazole-2-thione
CID 43660811
3-(3,5-dichloro-4-fluorophenyl)-6-methyl-1H-benzimidazole-2-thione
CID 107575787
6-fluoro-3-[2-(3-methylphenyl)ethyl]-1H-benzimidazole-2-thione
CID 63547117
3-(4-fluoro-2-methoxyphenyl)-6-methyl-1H-benzimidazole-2-thione
CID 63547109
5-bromo-6-fluoro-3-(3-fluorophenyl)-1H-benzimidazole-2-thione
CID 116737426
6-iodo-3-(3-iodophenyl)-1H-benzimidazole-2-thione
CID 66064909
3-(2-fluoro-5-methylphenyl)-6-methyl-1H-benzimidazole-2-thione
CID 43660881

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione (CID 43660815) is 6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione is Cc1cccc(-n2c(=S)[nH]c3cc(F)ccc32)c1.
What is the InChIKey of 6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione?
The InChIKey is BUQVMIBGAJRXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S/c1-9-3-2-4-11(7-9)17-13-6-5-10(15)8-12(13)16-14(17)18/h2-8H,1H3,(H,16,18).
What are the key properties of 6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione?
6-fluoro-3-(3-methylphenyl)-1H-benzimidazole-2-thione has a molecular weight of 258.32 g/mol, XLogP of 4.14, 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-methylphenyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 43660815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).