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

C13H11N3OS — CID 79296550

IUPAC1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCOc1cccc(-n2c(=S)[nH]c3cnccc32)c1
InChIInChI=1S/C13H11N3OS/c1-17-10-4-2-3-9(7-10)16-12-5-6-14-8-11(12)15-13(16)18/h2-8H,1H3,(H,15,18)
InChIKeyWQRVDJWOVRMKET-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.09
Rot. Bonds2

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

1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79296550) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79296550
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCOc1cccc(-n2c(=S)[nH]c3cnccc32)c1
InChIInChI=1S/C13H11N3OS/c1-17-10-4-2-3-9(7-10)16-12-5-6-14-8-11(12)15-13(16)18/h2-8H,1H3,(H,15,18)
InChIKeyWQRVDJWOVRMKET-UHFFFAOYSA-N
XLogP3.09
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-3-(3-methoxyphenyl)-1H-benzimidazole-2-thione
CID 66064722
1-(4-propan-2-yloxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296003
1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296192
1-(5-chloro-2,4-dimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79272608
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79269865
2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
CID 79296191
1-(3-methoxyphenyl)triazolo[4,5-c]pyridine
CID 117159499
1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296457
1-(2-fluoro-4-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295374
1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296087
5,6-dimethoxy-3-(3-methylphenyl)-1H-benzimidazole-2-thione
CID 83005907
3-(3-chlorophenyl)-5,6-dimethoxy-1H-benzimidazole-2-thione
CID 83005897

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione (CID 79296550) is 1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione is COc1cccc(-n2c(=S)[nH]c3cnccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is WQRVDJWOVRMKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-17-10-4-2-3-9(7-10)16-12-5-6-14-8-11(12)15-13(16)18/h2-8H,1H3,(H,15,18).
What are the key properties of 1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione?
1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 257.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79296550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).