6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione

C14H10BrFN2S — CID 43660688

IUPAC6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1cc(F)ccc1-n1c(=S)[nH]c2cc(Br)ccc21
InChIInChI=1S/C14H10BrFN2S/c1-8-6-10(16)3-5-12(8)18-13-4-2-9(15)7-11(13)17-14(18)19/h2-7H,1H3,(H,17,19)
InChIKeyWNOGJBYYODUODC-UHFFFAOYSA-N
MW337.22 g/mol
LogP4.90
Rot. Bonds1

About 6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione

6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione (PubChem CID 43660688) has the molecular formula C14H10BrFN2S and a molecular weight of 337.22 g/mol. Its IUPAC name is 6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
PubChem CID43660688
Molecular FormulaC14H10BrFN2S
Molecular Weight337.22 g/mol
Exact Mass335.97
IUPAC Name6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1cc(F)ccc1-n1c(=S)[nH]c2cc(Br)ccc21
InChIInChI=1S/C14H10BrFN2S/c1-8-6-10(16)3-5-12(8)18-13-4-2-9(15)7-11(13)17-14(18)19/h2-7H,1H3,(H,17,19)
InChIKeyWNOGJBYYODUODC-UHFFFAOYSA-N
XLogP4.90
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 54.90
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

6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 43659444
6-bromo-3-(2,5-dichloro-4-methylphenyl)-1H-benzimidazole-2-thione
CID 104727500
3-(5-bromo-2-fluorophenyl)-6-methyl-1H-benzimidazole-2-thione
CID 43661116
3-(4-bromophenyl)-6-fluoro-1H-benzimidazole-2-thione
CID 43660811
3-(4-bromo-2,5-difluorophenyl)-6-fluoro-1H-benzimidazole-2-thione
CID 107613775
1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296087
6-bromo-3-(3-bromo-2-methylphenyl)-1H-benzimidazole-2-thione
CID 107636770
3-(5-bromo-2-sulfanylidene-3H-benzimidazol-1-yl)-4-methylbenzonitrile
CID 63544951
3-(4-bromo-2-chlorophenyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592084
5-bromo-6-fluoro-3-(5-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 116737477
3-(4-fluoro-2-methoxyphenyl)-6-methyl-1H-benzimidazole-2-thione
CID 63547109
6-bromo-3-(2,6-difluorophenyl)-1H-benzimidazole-2-thione
CID 43660637

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione (CID 43660688) is 6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione is Cc1cc(F)ccc1-n1c(=S)[nH]c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
The InChIKey is WNOGJBYYODUODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2S/c1-8-6-10(16)3-5-12(8)18-13-4-2-9(15)7-11(13)17-14(18)19/h2-7H,1H3,(H,17,19).
What are the key properties of 6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione has a molecular weight of 337.22 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 43660688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).