1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione

C13H9F2N3S — CID 79296374

IUPAC1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESFc1ccc(Cn2c(=S)[nH]c3cnccc32)cc1F
InChIInChI=1S/C13H9F2N3S/c14-9-2-1-8(5-10(9)15)7-18-12-3-4-16-6-11(12)17-13(18)19/h1-6H,7H2,(H,17,19)
InChIKeyCCHSVZCIWMGETI-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.42
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione

1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79296374) has the molecular formula C13H9F2N3S and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79296374
Molecular FormulaC13H9F2N3S
Molecular Weight277.30 g/mol
Exact Mass277.05
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESFc1ccc(Cn2c(=S)[nH]c3cnccc32)cc1F
InChIInChI=1S/C13H9F2N3S/c14-9-2-1-8(5-10(9)15)7-18-12-3-4-16-6-11(12)17-13(18)19/h1-6H,7H2,(H,17,19)
InChIKeyCCHSVZCIWMGETI-UHFFFAOYSA-N
XLogP3.42
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.42
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

1-(1,3-thiazol-2-ylmethyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296186
1-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79270338
6-chloro-5-fluoro-3-(pyridin-3-ylmethyl)-1H-benzimidazole-2-thione
CID 66078238
1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296475
1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 106185000
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79292483
6-iodo-3-(pyridin-4-ylmethyl)-1H-benzimidazole-2-thione
CID 66063932
1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295384
6-fluoro-5-methyl-3-[(3-methyl-4-pyridinyl)methyl]-1H-benzimidazole-2-thione
CID 103592532
1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 103008252
1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296192
1-[2-(dimethylamino)propyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295922

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione (CID 79296374) is 1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione is Fc1ccc(Cn2c(=S)[nH]c3cnccc32)cc1F.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is CCHSVZCIWMGETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3S/c14-9-2-1-8(5-10(9)15)7-18-12-3-4-16-6-11(12)17-13(18)19/h1-6H,7H2,(H,17,19).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione?
1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 277.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79296374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).