4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine

C22H17N5 — CID 118717142

IUPAC4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)cc1
InChIInChI=1S/C22H17N5/c23-18-7-9-19(10-8-18)25-21-22-26-20(14-27(22)12-11-24-21)17-6-5-15-3-1-2-4-16(15)13-17/h1-14H,23H2,(H,24,25)
InChIKeyAFEVNETZDZSRSP-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.88
Rot. Bonds3

About 4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine

4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine (PubChem CID 118717142) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine
PubChem CID118717142
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)cc1
InChIInChI=1S/C22H17N5/c23-18-7-9-19(10-8-18)25-21-22-26-20(14-27(22)12-11-24-21)17-6-5-15-3-1-2-4-16(15)13-17/h1-14H,23H2,(H,24,25)
InChIKeyAFEVNETZDZSRSP-UHFFFAOYSA-N
XLogP4.88
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine (CID 118717142) is 4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine is Nc1ccc(Nc2nccn3cc(-c4ccc5ccccc5c4)nc23)cc1.
What is the InChIKey of 4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine?
The InChIKey is AFEVNETZDZSRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c23-18-7-9-19(10-8-18)25-21-22-26-20(14-27(22)12-11-24-21)17-6-5-15-3-1-2-4-16(15)13-17/h1-14H,23H2,(H,24,25).
What are the key properties of 4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine?
4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine has a molecular weight of 351.41 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine is sourced from PubChem (CID 118717142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).