4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one

C11H8N4O — CID 138058760

IUPAC4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one
SMILESO=C1N=NC(c2ncc[nH]2)=C2C=CC=CC12
InChIInChI=1S/C11H8N4O/c16-11-8-4-2-1-3-7(8)9(14-15-11)10-12-5-6-13-10/h1-6,8H,(H,12,13)
InChIKeyYPXFUHDYEKECIN-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.86
Rot. Bonds1

About 4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one

4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one (PubChem CID 138058760) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one
PubChem CID138058760
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one
SMILESO=C1N=NC(c2ncc[nH]2)=C2C=CC=CC12
InChIInChI=1S/C11H8N4O/c16-11-8-4-2-1-3-7(8)9(14-15-11)10-12-5-6-13-10/h1-6,8H,(H,12,13)
InChIKeyYPXFUHDYEKECIN-UHFFFAOYSA-N
XLogP1.86
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
N-[2-[(4-oxo-4aH-phthalazin-1-yl)methylamino]ethyl]acetamide
CID 90774787
3-sulfanyl-7aH-2-benzofuran-1-one
CID 141079473
tris(1H-imidazol-2-yl)silane
CID 123177194
2-(1H-pyrazol-4-yl)-1H-imidazole
CID 22037665
3-chloro-7aH-2-benzofuran-1-one
CID 141049124
4-(1H-imidazol-2-yl)-2H-triazepine
CID 137187500
bis[2-(1H-imidazol-2-yl)phenyl]methanone
CID 57133504
2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953099
2-ethoxy-4aH-quinazolin-4-one
CID 78203567
1,2,3,4,4a,5a-hexahydroindeno[1,2-b]pyridin-5-one
CID 70626456
5-amino-6-(1H-imidazol-2-yl)-1H-pyrimidin-2-one
CID 82410572

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one?
The IUPAC name of 4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one (CID 138058760) is 4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one?
The canonical SMILES for 4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one is O=C1N=NC(c2ncc[nH]2)=C2C=CC=CC12.
What is the InChIKey of 4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one?
The InChIKey is YPXFUHDYEKECIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-8-4-2-1-3-7(8)9(14-15-11)10-12-5-6-13-10/h1-6,8H,(H,12,13).
What are the key properties of 4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one?
4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one has a molecular weight of 212.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-8aH-phthalazin-1-one is sourced from PubChem (CID 138058760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).