N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide

C23H16FN5O2 — CID 45031670

IUPACN-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2n2c(=O)cc(-c3ccncc3)nc12)Nc1ccc(F)cc1
InChIInChI=1S/C23H16FN5O2/c24-16-5-7-17(8-6-16)26-21(30)14-28-19-3-1-2-4-20(19)29-22(31)13-18(27-23(28)29)15-9-11-25-12-10-15/h1-13H,14H2,(H,26,30)
InChIKeyIHPWRKFOZLVTOY-UHFFFAOYSA-N
MW413.41 g/mol
LogP3.49
Rot. Bonds4

About N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide

N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide (PubChem CID 45031670) has the molecular formula C23H16FN5O2 and a molecular weight of 413.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
PubChem CID45031670
Molecular FormulaC23H16FN5O2
Molecular Weight413.41 g/mol
Exact Mass413.13
IUPAC NameN-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2n2c(=O)cc(-c3ccncc3)nc12)Nc1ccc(F)cc1
InChIInChI=1S/C23H16FN5O2/c24-16-5-7-17(8-6-16)26-21(30)14-28-19-3-1-2-4-20(19)29-22(31)13-18(27-23(28)29)15-9-11-25-12-10-15/h1-13H,14H2,(H,26,30)
InChIKeyIHPWRKFOZLVTOY-UHFFFAOYSA-N
XLogP3.49
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide 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

N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031465
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031456
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
CID 45031658
N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031629
ethyl 2-[[2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetyl]amino]benzoate
CID 45031679
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide
CID 45031752
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 45031617
2-(2-methylindol-1-yl)-N-pyridin-4-ylacetamide
CID 27700402
N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369598
2-(2,3-dioxo-4H-quinoxalin-1-yl)-N-(4-fluorophenyl)acetamide
CID 113195630

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide (CID 45031670) is N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide is O=C(Cn1c2ccccc2n2c(=O)cc(-c3ccncc3)nc12)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
The InChIKey is IHPWRKFOZLVTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O2/c24-16-5-7-17(8-6-16)26-21(30)14-28-19-3-1-2-4-20(19)29-22(31)13-18(27-23(28)29)15-9-11-25-12-10-15/h1-13H,14H2,(H,26,30).
What are the key properties of N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide?
N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide has a molecular weight of 413.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide is sourced from PubChem (CID 45031670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).