2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine

C15H15N3O2S — CID 15037656

IUPAC2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
SMILESCOc1cc(CSc2nc3ccncc3[nH]2)cc(OC)c1
InChIInChI=1S/C15H15N3O2S/c1-19-11-5-10(6-12(7-11)20-2)9-21-15-17-13-3-4-16-8-14(13)18-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyZNAGZDVFIFXPCO-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.27
Rot. Bonds5

About 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine

2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine (PubChem CID 15037656) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
PubChem CID15037656
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
SMILESCOc1cc(CSc2nc3ccncc3[nH]2)cc(OC)c1
InChIInChI=1S/C15H15N3O2S/c1-19-11-5-10(6-12(7-11)20-2)9-21-15-17-13-3-4-16-8-14(13)18-15/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyZNAGZDVFIFXPCO-UHFFFAOYSA-N
XLogP3.27
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 20890471
[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)-2-methoxyphenyl] benzoate
CID 19098794
2-[(2,5-dimethylphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine
CID 20890494
2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
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6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 3343828
CID 67411928
CID 67411928
N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
CID 20890477
6-methoxy-2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole
CID 2650606
2-[(4-chloro-2-pyridinyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 79245493
2-[(4-methoxy-6-methyl-2-pyridinyl)methylsulfanyl]-3H-benzimidazol-5-amine
CID 82885306
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine (CID 15037656) is 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine is COc1cc(CSc2nc3ccncc3[nH]2)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is ZNAGZDVFIFXPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-19-11-5-10(6-12(7-11)20-2)9-21-15-17-13-3-4-16-8-14(13)18-15/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine?
2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 301.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 15037656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).