2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine

C16H15N3OS — CID 19822016

IUPAC2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine
SMILESC=CCSc1ccc(-c2nc3ccncc3[nH]2)c(OC)c1
InChIInChI=1S/C16H15N3OS/c1-3-8-21-11-4-5-12(15(9-11)20-2)16-18-13-6-7-17-10-14(13)19-16/h3-7,9-10H,1,8H2,2H3,(H,18,19)
InChIKeyWHMWFFKJWQMFQG-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.91
Rot. Bonds5

About 2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine

2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine (PubChem CID 19822016) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine
PubChem CID19822016
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine
SMILESC=CCSc1ccc(-c2nc3ccncc3[nH]2)c(OC)c1
InChIInChI=1S/C16H15N3OS/c1-3-8-21-11-4-5-12(15(9-11)20-2)16-18-13-6-7-17-10-14(13)19-16/h3-7,9-10H,1,8H2,2H3,(H,18,19)
InChIKeyWHMWFFKJWQMFQG-UHFFFAOYSA-N
XLogP3.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenyl]sulfanylacetate
CID 19821929
2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 13450837
4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxybenzenesulfonyl chloride;hydrochloride
CID 23325374
2-(2-methoxy-4-prop-2-ynylsulfanylphenyl)-1H-imidazo[4,5-d]pyridazine
CID 88690648
methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate
CID 19821943
2-(4-methoxy-2-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 13145901
3-ethoxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 135999342
2-(4-ethylsulfanyl-2-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 70493239
2-(4-ethylsulfanyl-2-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 70492577
2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
CID 105063747
2-(2-methoxy-3-pyridinyl)-3H-imidazo[4,5-c]pyridine
CID 63268642
2-(3-methoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 19821912

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine (CID 19822016) is 2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine is C=CCSc1ccc(-c2nc3ccncc3[nH]2)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is WHMWFFKJWQMFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-3-8-21-11-4-5-12(15(9-11)20-2)16-18-13-6-7-17-10-14(13)19-16/h3-7,9-10H,1,8H2,2H3,(H,18,19).
What are the key properties of 2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine?
2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 297.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 19822016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).