2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one

C21H13FN4O — CID 4526396

IUPAC2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H13FN4O/c22-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)20(27)26(25-19)21-23-17-7-3-4-8-18(17)24-21/h1-12H,(H,23,24)
InChIKeyOIZNUMVMPILMFY-UHFFFAOYSA-N
MW356.36 g/mol
LogP4.07
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one

2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one (PubChem CID 4526396) has the molecular formula C21H13FN4O and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one
PubChem CID4526396
Molecular FormulaC21H13FN4O
Molecular Weight356.36 g/mol
Exact Mass356.11
IUPAC Name2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2ccccc2[nH]1
InChIInChI=1S/C21H13FN4O/c22-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)20(27)26(25-19)21-23-17-7-3-4-8-18(17)24-21/h1-12H,(H,23,24)
InChIKeyOIZNUMVMPILMFY-UHFFFAOYSA-N
XLogP4.07
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one (CID 4526396) is 2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one is O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one?
The InChIKey is OIZNUMVMPILMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4O/c22-14-11-9-13(10-12-14)19-15-5-1-2-6-16(15)20(27)26(25-19)21-23-17-7-3-4-8-18(17)24-21/h1-12H,(H,23,24).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one?
2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one has a molecular weight of 356.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one is sourced from PubChem (CID 4526396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).