3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine

C16H16N4O — CID 114716275

IUPAC3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine
SMILESCCOc1ccc(-n2cncc2-c2cccnc2N)cc1
InChIInChI=1S/C16H16N4O/c1-2-21-13-7-5-12(6-8-13)20-11-18-10-15(20)14-4-3-9-19-16(14)17/h3-11H,2H2,1H3,(H2,17,19)
InChIKeyGRCZUDOSMZPNOQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.92
Rot. Bonds4

About 3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine

3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114716275) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114716275
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine
SMILESCCOc1ccc(-n2cncc2-c2cccnc2N)cc1
InChIInChI=1S/C16H16N4O/c1-2-21-13-7-5-12(6-8-13)20-11-18-10-15(20)14-4-3-9-19-16(14)17/h3-11H,2H2,1H3,(H2,17,19)
InChIKeyGRCZUDOSMZPNOQ-UHFFFAOYSA-N
XLogP2.92
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114716022
3-[3-(1H-pyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114717949
3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114720343
[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine
CID 114702711
3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
CID 114717187
3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114721261
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
CID 114721949
2-(2-amino-3-pyridinyl)-4-ethoxybenzaldehyde
CID 166594807
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
3-[3-(2,3-dimethylcyclopentyl)imidazol-4-yl]pyridin-2-amine
CID 114720988
4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 107810756

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine (CID 114716275) is 3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine is CCOc1ccc(-n2cncc2-c2cccnc2N)cc1.
What is the InChIKey of 3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is GRCZUDOSMZPNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-2-21-13-7-5-12(6-8-13)20-11-18-10-15(20)14-4-3-9-19-16(14)17/h3-11H,2H2,1H3,(H2,17,19).
What are the key properties of 3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine?
3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114716275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).