2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine

C16H11BrN4 — CID 3673394

IUPAC2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine
SMILESNc1nn2cc(-c3ccc(Br)cc3)nc2c2ccccc12
InChIInChI=1S/C16H11BrN4/c17-11-7-5-10(6-8-11)14-9-21-16(19-14)13-4-2-1-3-12(13)15(18)20-21/h1-9H,(H2,18,20)
InChIKeyILCFXOKVYROPRQ-UHFFFAOYSA-N
MW339.20 g/mol
LogP3.89
Rot. Bonds1

About 2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine

2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine (PubChem CID 3673394) has the molecular formula C16H11BrN4 and a molecular weight of 339.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine
PubChem CID3673394
Molecular FormulaC16H11BrN4
Molecular Weight339.20 g/mol
Exact Mass338.02
IUPAC Name2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine
SMILESNc1nn2cc(-c3ccc(Br)cc3)nc2c2ccccc12
InChIInChI=1S/C16H11BrN4/c17-11-7-5-10(6-8-11)14-9-21-16(19-14)13-4-2-1-3-12(13)15(18)20-21/h1-9H,(H2,18,20)
InChIKeyILCFXOKVYROPRQ-UHFFFAOYSA-N
XLogP3.89
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine?
The IUPAC name of 2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine (CID 3673394) is 2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine.
What is the SMILES notation for 2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine?
The canonical SMILES for 2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine is Nc1nn2cc(-c3ccc(Br)cc3)nc2c2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine?
The InChIKey is ILCFXOKVYROPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4/c17-11-7-5-10(6-8-11)14-9-21-16(19-14)13-4-2-1-3-12(13)15(18)20-21/h1-9H,(H2,18,20).
What are the key properties of 2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine?
2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine has a molecular weight of 339.20 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)imidazo[2,1-a]phthalazin-6-amine is sourced from PubChem (CID 3673394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).