2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol

C17H19N3O — CID 82150776

IUPAC2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol
SMILESCc1cnc2c(c1)nc(-c1ccc(C)c(C)c1)n2CCO
InChIInChI=1S/C17H19N3O/c1-11-8-15-17(18-10-11)20(6-7-21)16(19-15)14-5-4-12(2)13(3)9-14/h4-5,8-10,21H,6-7H2,1-3H3
InChIKeyCYYUEKWTFSILGE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds3

About 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol

2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol (PubChem CID 82150776) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol
PubChem CID82150776
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol
SMILESCc1cnc2c(c1)nc(-c1ccc(C)c(C)c1)n2CCO
InChIInChI=1S/C17H19N3O/c1-11-8-15-17(18-10-11)20(6-7-21)16(19-15)14-5-4-12(2)13(3)9-14/h4-5,8-10,21H,6-7H2,1-3H3
InChIKeyCYYUEKWTFSILGE-UHFFFAOYSA-N
XLogP3.02
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol (CID 82150776) is 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol is Cc1cnc2c(c1)nc(-c1ccc(C)c(C)c1)n2CCO.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol?
The InChIKey is CYYUEKWTFSILGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-8-15-17(18-10-11)20(6-7-21)16(19-15)14-5-4-12(2)13(3)9-14/h4-5,8-10,21H,6-7H2,1-3H3.
What are the key properties of 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol?
2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol has a molecular weight of 281.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol is sourced from PubChem (CID 82150776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).