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

C14H10ClFN2S — CID 115470010

IUPAC5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1c(F)cccc1-n1c(=S)[nH]c2ccc(Cl)cc21
InChIInChI=1S/C14H10ClFN2S/c1-8-10(16)3-2-4-12(8)18-13-7-9(15)5-6-11(13)17-14(18)19/h2-7H,1H3,(H,17,19)
InChIKeySCGUIGSQOJRULQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.79
Rot. Bonds1

About 5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione

5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione (PubChem CID 115470010) has the molecular formula C14H10ClFN2S and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
PubChem CID115470010
Molecular FormulaC14H10ClFN2S
Molecular Weight292.77 g/mol
Exact Mass292.02
IUPAC Name5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
SMILESCc1c(F)cccc1-n1c(=S)[nH]c2ccc(Cl)cc21
InChIInChI=1S/C14H10ClFN2S/c1-8-10(16)3-2-4-12(8)18-13-7-9(15)5-6-11(13)17-14(18)19/h2-7H,1H3,(H,17,19)
InChIKeySCGUIGSQOJRULQ-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-fluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 55221176
4-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 63545848
5,7-difluoro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione
CID 115508287
3-(3-chloro-2-methylphenyl)-5-fluoro-6-iodo-1H-benzimidazole-2-thione
CID 66100339
5-chloro-3-[2-(methoxymethyl)phenyl]-1H-benzimidazole-2-thione
CID 115469978
5-chloro-3-phenyl-1H-benzimidazole-2-thione
CID 3061814
3-(3-bromo-2-methylphenyl)-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 107636769
5-chloro-3-isoquinolin-5-yl-1H-benzimidazole-2-thione
CID 115469930
6-fluoro-5-methyl-3-(2-methylphenyl)-1H-benzimidazole-2-thione
CID 103592074
3-(5-chloro-2-fluorophenyl)-6-methyl-1H-benzimidazole-2-thione
CID 43661017
3-(4-bromo-3-fluorophenyl)-5-chloro-1H-benzimidazole-2-thione
CID 115470149
6-chloro-3-(2-fluoro-4-methylphenyl)-1H-benzimidazole-2-thione
CID 43659486

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
The IUPAC name of 5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione (CID 115470010) is 5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione is Cc1c(F)cccc1-n1c(=S)[nH]c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
The InChIKey is SCGUIGSQOJRULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2S/c1-8-10(16)3-2-4-12(8)18-13-7-9(15)5-6-11(13)17-14(18)19/h2-7H,1H3,(H,17,19).
What are the key properties of 5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione?
5-chloro-3-(3-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 5-chloro-3-(3-fluoro-2-methylphenyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 115470010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).