2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine

C14H13N3OS — CID 67896732

IUPAC2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESC=CCOc1csc(C)c1-c1nc2ccncc2[nH]1
InChIInChI=1S/C14H13N3OS/c1-3-6-18-12-8-19-9(2)13(12)14-16-10-4-5-15-7-11(10)17-14/h3-5,7-8H,1,6H2,2H3,(H,16,17)
InChIKeyLZKQQLLLINVJNZ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.56
Rot. Bonds4

About 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine

2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 67896732) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine
PubChem CID67896732
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine
SMILESC=CCOc1csc(C)c1-c1nc2ccncc2[nH]1
InChIInChI=1S/C14H13N3OS/c1-3-6-18-12-8-19-9(2)13(12)14-16-10-4-5-15-7-11(10)17-14/h3-5,7-8H,1,6H2,2H3,(H,16,17)
InChIKeyLZKQQLLLINVJNZ-UHFFFAOYSA-N
XLogP3.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine
CID 67896478
4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol
CID 67896665
2-(4,5-dimethylthiophen-3-yl)-3H-imidazo[4,5-c]pyridine
CID 156838859
2-(3-prop-2-enoxy-4-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 19821966
2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 103402838
2-(2-methoxy-4-prop-2-enylsulfanylphenyl)-3H-imidazo[4,5-c]pyridine
CID 19822016
2-(5-methylpyrazin-2-yl)-3H-imidazo[4,5-c]pyridine
CID 63269092
4-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-2-amine
CID 63268954
2-(2,4,6-trifluorophenyl)-3H-imidazo[4,5-c]pyridine
CID 65100267
3-ethoxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 135999342
2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 13450790
2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 45259699

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine (CID 67896732) is 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine is C=CCOc1csc(C)c1-c1nc2ccncc2[nH]1.
What is the InChIKey of 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is LZKQQLLLINVJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-3-6-18-12-8-19-9(2)13(12)14-16-10-4-5-15-7-11(10)17-14/h3-5,7-8H,1,6H2,2H3,(H,16,17).
What are the key properties of 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine?
2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 271.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-prop-2-enoxythiophen-3-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 67896732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).