6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione

C15H14FN3S — CID 103592532

IUPAC6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione
SMILESCc1cc2c(cc1F)[nH]c(=S)n2Cc1ccncc1C
InChIInChI=1S/C15H14FN3S/c1-9-5-14-13(6-12(9)16)18-15(20)19(14)8-11-3-4-17-7-10(11)2/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyWGQLRVBZFSLQQJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.90
Rot. Bonds2

About 6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione

6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione (PubChem CID 103592532) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione
PubChem CID103592532
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione
SMILESCc1cc2c(cc1F)[nH]c(=S)n2Cc1ccncc1C
InChIInChI=1S/C15H14FN3S/c1-9-5-14-13(6-12(9)16)18-15(20)19(14)8-11-3-4-17-7-10(11)2/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyWGQLRVBZFSLQQJ-UHFFFAOYSA-N
XLogP3.90
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-fluoro-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione
CID 114701134
6-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 114701133
3-[(3-ethylthiophen-2-yl)methyl]-6-fluoro-5-methyl-1H-benzimidazole-2-thione
CID 103592398
6-bromo-3-[(4-methyl-3-pyridinyl)methyl]-1H-benzimidazole-2-thione
CID 114956795
6-fluoro-5-methyl-3-(3,3,3-trifluoropropyl)-1H-benzimidazole-2-thione
CID 103592294
6-fluoro-5-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-benzimidazole-2-thione
CID 103592383
6-fluoro-5-methyl-3-[2-(1,3-thiazol-2-yl)ethyl]-1H-benzimidazole-2-thione
CID 103592296
1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296374
5-fluoro-6-iodo-3-[(3-methyl-2-pyridinyl)methyl]-1H-benzimidazole-2-thione
CID 66099788
4-ethyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-imidazole-2-thione
CID 114701494
1-ethyl-3-methyl-6-[(3-methyl-4-pyridinyl)methyl]-4H-imidazo[4,5-d]pyrazole-5-thione
CID 114701145
6-chloro-5-fluoro-3-(pyridin-3-ylmethyl)-1H-benzimidazole-2-thione
CID 66078238

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione?
The IUPAC name of 6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione (CID 103592532) is 6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione?
The canonical SMILES for 6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione is Cc1cc2c(cc1F)[nH]c(=S)n2Cc1ccncc1C.
What is the InChIKey of 6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione?
The InChIKey is WGQLRVBZFSLQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-9-5-14-13(6-12(9)16)18-15(20)19(14)8-11-3-4-17-7-10(11)2/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of 6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione?
6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione has a molecular weight of 287.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione is sourced from PubChem (CID 103592532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).