2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine

C17H23N3O — CID 114933599

IUPAC2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
SMILESCCOc1cccc(-c2nc3n(c2N)C(C)CC(C)C3)c1
InChIInChI=1S/C17H23N3O/c1-4-21-14-7-5-6-13(10-14)16-17(18)20-12(3)8-11(2)9-15(20)19-16/h5-7,10-12H,4,8-9,18H2,1-3H3
InChIKeyKCYUJJXTGZPXPU-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.67
Rot. Bonds3

About 2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine

2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine (PubChem CID 114933599) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
PubChem CID114933599
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
SMILESCCOc1cccc(-c2nc3n(c2N)C(C)CC(C)C3)c1
InChIInChI=1S/C17H23N3O/c1-4-21-14-7-5-6-13(10-14)16-17(18)20-12(3)8-11(2)9-15(20)19-16/h5-7,10-12H,4,8-9,18H2,1-3H3
InChIKeyKCYUJJXTGZPXPU-UHFFFAOYSA-N
XLogP3.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine (CID 114933599) is 2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine is CCOc1cccc(-c2nc3n(c2N)C(C)CC(C)C3)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine?
The InChIKey is KCYUJJXTGZPXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-21-14-7-5-6-13(10-14)16-17(18)20-12(3)8-11(2)9-15(20)19-16/h5-7,10-12H,4,8-9,18H2,1-3H3.
What are the key properties of 2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine?
2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-5,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 114933599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).