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

C14H10ClFN2S — CID 43659444

IUPAC6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1cc(F)ccc1-n1c(=S)[nH]c2cc(Cl)ccc21
InChIInChI=1S/C14H10ClFN2S/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)
InChIKeyWGQMEHPBZWPGFC-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.79
Rot. Bonds1

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

6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione (PubChem CID 43659444) has the molecular formula C14H10ClFN2S and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
PubChem CID43659444
Molecular FormulaC14H10ClFN2S
Molecular Weight292.77 g/mol
Exact Mass292.02
IUPAC Name6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1cc(F)ccc1-n1c(=S)[nH]c2cc(Cl)ccc21
InChIInChI=1S/C14H10ClFN2S/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)
InChIKeyWGQMEHPBZWPGFC-UHFFFAOYSA-N
XLogP4.79
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.79
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-bromo-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 43660688
6-chloro-3-(2-fluoro-4-methylphenyl)-1H-benzimidazole-2-thione
CID 43659486
3-(2,5-dichlorophenyl)-6-fluoro-1H-benzimidazole-2-thione
CID 43660323
3-(5-chloro-2-fluorophenyl)-6-methyl-1H-benzimidazole-2-thione
CID 43661017
6-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 55221176
3-(2-fluoro-5-methylphenyl)-6-methyl-1H-benzimidazole-2-thione
CID 43660881
3-(4-fluoro-2-methoxyphenyl)-6-methyl-1H-benzimidazole-2-thione
CID 63547109
6-chloro-3-(4-chlorophenyl)-1H-benzimidazole-2-thione
CID 43659314
6-chloro-3-(2-ethylphenyl)-1H-benzimidazole-2-thione
CID 43659442
6-chloro-3-(2-propan-2-ylphenyl)-1H-benzimidazole-2-thione
CID 43659372
6-fluoro-5-methyl-3-(2,3,4-trifluorophenyl)-1H-benzimidazole-2-thione
CID 103592032
3-(4-bromo-2,5-difluorophenyl)-6-fluoro-1H-benzimidazole-2-thione
CID 107613775

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione (CID 43659444) is 6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione is Cc1cc(F)ccc1-n1c(=S)[nH]c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
The InChIKey is WGQMEHPBZWPGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2S/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-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione has a molecular weight of 292.77 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 43659444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).