3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine

C16H13N3O — CID 167800184

IUPAC3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine
SMILESC#CCOc1ccc(-c2nc3ccncc3n2C)cc1
InChIInChI=1S/C16H13N3O/c1-3-10-20-13-6-4-12(5-7-13)16-18-14-8-9-17-11-15(14)19(16)2/h1,4-9,11H,10H2,2H3
InChIKeyVJJUZQJHNVRUGK-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.65
Rot. Bonds3

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

3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine (PubChem CID 167800184) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine
PubChem CID167800184
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine
SMILESC#CCOc1ccc(-c2nc3ccncc3n2C)cc1
InChIInChI=1S/C16H13N3O/c1-3-10-20-13-6-4-12(5-7-13)16-18-14-8-9-17-11-15(14)19(16)2/h1,4-9,11H,10H2,2H3
InChIKeyVJJUZQJHNVRUGK-UHFFFAOYSA-N
XLogP2.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine
CID 167807575
2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine
CID 167895828
2-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)phenyl]ethanamine
CID 114793319
2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine
CID 167831156
3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 59194302
6-(3-methylimidazo[4,5-c]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 114793362
2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine
CID 167893785
2-(2-fluorophenyl)-3-methylimidazo[4,5-c]pyridine
CID 70925257
3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid
CID 167855437
ethane;prop-2-ynoxybenzene
CID 144946264
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
2-(4-ethoxyphenyl)-1,6-dimethylimidazo[4,5-b]pyridine
CID 23847773

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine (CID 167800184) is 3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine is C#CCOc1ccc(-c2nc3ccncc3n2C)cc1.
What is the InChIKey of 3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine?
The InChIKey is VJJUZQJHNVRUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-3-10-20-13-6-4-12(5-7-13)16-18-14-8-9-17-11-15(14)19(16)2/h1,4-9,11H,10H2,2H3.
What are the key properties of 3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine?
3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine has a molecular weight of 263.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 167800184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).