N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine

C21H20N4 — CID 53032470

IUPACN-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(-c2nc3cnccn3c2Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H20N4/c1-14-4-6-17(7-5-14)20-21(25-9-8-22-13-19(25)24-20)23-18-11-15(2)10-16(3)12-18/h4-13,23H,1-3H3
InChIKeyHVKFWUMLTUKDEW-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.07
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine

N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 53032470) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID53032470
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCc1ccc(-c2nc3cnccn3c2Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H20N4/c1-14-4-6-17(7-5-14)20-21(25-9-8-22-13-19(25)24-20)23-18-11-15(2)10-16(3)12-18/h4-13,23H,1-3H3
InChIKeyHVKFWUMLTUKDEW-UHFFFAOYSA-N
XLogP5.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine (CID 53032470) is N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine is Cc1ccc(-c2nc3cnccn3c2Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is HVKFWUMLTUKDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-14-4-6-17(7-5-14)20-21(25-9-8-22-13-19(25)24-20)23-18-11-15(2)10-16(3)12-18/h4-13,23H,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine?
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 328.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 53032470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).