2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine

C19H16IN5 — CID 89350559

IUPAC2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine
SMILESNc1ccc(-c2nc3cnccn3c2Nc2cccc(CI)c2)cc1
InChIInChI=1S/C19H16IN5/c20-11-13-2-1-3-16(10-13)23-19-18(14-4-6-15(21)7-5-14)24-17-12-22-8-9-25(17)19/h1-10,12,23H,11,21H2
InChIKeyWRGYLCUGDCNVMA-UHFFFAOYSA-N
MW441.28 g/mol
LogP4.66
Rot. Bonds4

About 2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine

2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine (PubChem CID 89350559) has the molecular formula C19H16IN5 and a molecular weight of 441.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine
PubChem CID89350559
Molecular FormulaC19H16IN5
Molecular Weight441.28 g/mol
Exact Mass441.05
IUPAC Name2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine
SMILESNc1ccc(-c2nc3cnccn3c2Nc2cccc(CI)c2)cc1
InChIInChI=1S/C19H16IN5/c20-11-13-2-1-3-16(10-13)23-19-18(14-4-6-15(21)7-5-14)24-17-12-22-8-9-25(17)19/h1-10,12,23H,11,21H2
InChIKeyWRGYLCUGDCNVMA-UHFFFAOYSA-N
XLogP4.66
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.28
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine (CID 89350559) is 2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine is Nc1ccc(-c2nc3cnccn3c2Nc2cccc(CI)c2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is WRGYLCUGDCNVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16IN5/c20-11-13-2-1-3-16(10-13)23-19-18(14-4-6-15(21)7-5-14)24-17-12-22-8-9-25(17)19/h1-10,12,23H,11,21H2.
What are the key properties of 2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine?
2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 441.28 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-(iodomethyl)phenyl]imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 89350559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).