2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine

C16H18N4 — CID 82487047

IUPAC2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
SMILESCc1ccc(-n2c(CCN)nc3cccnc32)cc1C
InChIInChI=1S/C16H18N4/c1-11-5-6-13(10-12(11)2)20-15(7-8-17)19-14-4-3-9-18-16(14)20/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyMEVVYFCEENEJKJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.54
Rot. Bonds3

About 2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine

2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine (PubChem CID 82487047) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
PubChem CID82487047
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
SMILESCc1ccc(-n2c(CCN)nc3cccnc32)cc1C
InChIInChI=1S/C16H18N4/c1-11-5-6-13(10-12(11)2)20-15(7-8-17)19-14-4-3-9-18-16(14)20/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyMEVVYFCEENEJKJ-UHFFFAOYSA-N
XLogP2.54
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine?
The IUPAC name of 2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine (CID 82487047) is 2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine.
What is the SMILES notation for 2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine?
The canonical SMILES for 2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine is Cc1ccc(-n2c(CCN)nc3cccnc32)cc1C.
What is the InChIKey of 2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine?
The InChIKey is MEVVYFCEENEJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-5-6-13(10-12(11)2)20-15(7-8-17)19-14-4-3-9-18-16(14)20/h3-6,9-10H,7-8,17H2,1-2H3.
What are the key properties of 2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine?
2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine is sourced from PubChem (CID 82487047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).