N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine

C20H19N5 — CID 11438900

IUPACN-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine
SMILESc1ccc(-c2nnc(NCCCn3ccnc3)c3ccccc23)cc1
InChIInChI=1S/C20H19N5/c1-2-7-16(8-3-1)19-17-9-4-5-10-18(17)20(24-23-19)22-11-6-13-25-14-12-21-15-25/h1-5,7-10,12,14-15H,6,11,13H2,(H,22,24)
InChIKeyQURLODDTDAJIIL-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.00
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine

N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine (PubChem CID 11438900) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine
PubChem CID11438900
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine
SMILESc1ccc(-c2nnc(NCCCn3ccnc3)c3ccccc23)cc1
InChIInChI=1S/C20H19N5/c1-2-7-16(8-3-1)19-17-9-4-5-10-18(17)20(24-23-19)22-11-6-13-25-14-12-21-15-25/h1-5,7-10,12,14-15H,6,11,13H2,(H,22,24)
InChIKeyQURLODDTDAJIIL-UHFFFAOYSA-N
XLogP4.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine
CID 11427474
N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine
CID 73333742
N-(3-imidazol-1-ylpropyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4025230
7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine
CID 68862663
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine
CID 19429444
3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 17156318
N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine
CID 75483061
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine
CID 89351075
8-N-(3-imidazol-1-ylpropyl)quinoline-5,8-diamine
CID 43450147
N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3610950
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine (CID 11438900) is N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine is c1ccc(-c2nnc(NCCCn3ccnc3)c3ccccc23)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine?
The InChIKey is QURLODDTDAJIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-2-7-16(8-3-1)19-17-9-4-5-10-18(17)20(24-23-19)22-11-6-13-25-14-12-21-15-25/h1-5,7-10,12,14-15H,6,11,13H2,(H,22,24).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine?
N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine has a molecular weight of 329.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine is sourced from PubChem (CID 11438900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).