4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine

C20H19N5 — CID 11427474

IUPAC4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine
SMILESc1ccc(Cc2nnc(NCCn3ccnc3)c3ccccc23)cc1
InChIInChI=1S/C20H19N5/c1-2-6-16(7-3-1)14-19-17-8-4-5-9-18(17)20(24-23-19)22-11-13-25-12-10-21-15-25/h1-10,12,15H,11,13-14H2,(H,22,24)
InChIKeyOXUAONFNJXHEII-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.53
Rot. Bonds6

About 4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine

4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine (PubChem CID 11427474) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine
PubChem CID11427474
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine
SMILESc1ccc(Cc2nnc(NCCn3ccnc3)c3ccccc23)cc1
InChIInChI=1S/C20H19N5/c1-2-6-16(7-3-1)14-19-17-8-4-5-9-18(17)20(24-23-19)22-11-13-25-12-10-21-15-25/h1-10,12,15H,11,13-14H2,(H,22,24)
InChIKeyOXUAONFNJXHEII-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine
CID 11438900
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
1-(4-benzylphthalazin-1-yl)-2-phenylhydrazine
CID 6412969
3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine
CID 102983953
1-(8-phenyloctyl)imidazole
CID 102394184
N'-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]-N-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 135268190
N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine
CID 73333742
N-(2-imidazol-1-ylethyl)-1-methyltetrazol-5-amine
CID 63150127
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809242
N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
CID 140993552
4-N-(2-imidazol-1-ylethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80809045
2-(2-imidazol-1-ylethylamino)benzonitrile
CID 60677676

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine?
The IUPAC name of 4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine (CID 11427474) is 4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine.
What is the SMILES notation for 4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine?
The canonical SMILES for 4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine is c1ccc(Cc2nnc(NCCn3ccnc3)c3ccccc23)cc1.
What is the InChIKey of 4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine?
The InChIKey is OXUAONFNJXHEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-2-6-16(7-3-1)14-19-17-8-4-5-9-18(17)20(24-23-19)22-11-13-25-12-10-21-15-25/h1-10,12,15H,11,13-14H2,(H,22,24).
What are the key properties of 4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine?
4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine has a molecular weight of 329.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2-imidazol-1-ylethyl)phthalazin-1-amine is sourced from PubChem (CID 11427474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).