ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine

C17H21N3O — CID 144949974

IUPACethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine
SMILESCC.COc1ccc(-n2c(C)nc3cnccc32)c(C)c1
InChIInChI=1S/C15H15N3O.C2H6/c1-10-8-12(19-3)4-5-14(10)18-11(2)17-13-9-16-7-6-15(13)18;1-2/h4-9H,1-3H3;1-2H3
InChIKeyHLFOOVBUTNLGLS-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.07
Rot. Bonds2

About ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine

ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine (PubChem CID 144949974) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Nameethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine
PubChem CID144949974
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Nameethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine
SMILESCC.COc1ccc(-n2c(C)nc3cnccc32)c(C)c1
InChIInChI=1S/C15H15N3O.C2H6/c1-10-8-12(19-3)4-5-14(10)18-11(2)17-13-9-16-7-6-15(13)18;1-2/h4-9H,1-3H3;1-2H3
InChIKeyHLFOOVBUTNLGLS-UHFFFAOYSA-N
XLogP4.07
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine?
The IUPAC name of ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine (CID 144949974) is ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine?
The canonical SMILES for ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine is CC.COc1ccc(-n2c(C)nc3cnccc32)c(C)c1.
What is the InChIKey of ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine?
The InChIKey is HLFOOVBUTNLGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O.C2H6/c1-10-8-12(19-3)4-5-14(10)18-11(2)17-13-9-16-7-6-15(13)18;1-2/h4-9H,1-3H3;1-2H3.
What are the key properties of ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine?
ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine has a molecular weight of 283.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxy-2-methylphenyl)-2-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 144949974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).