N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide

C26H21FN4O2 — CID 45031658

IUPACN-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C26H21FN4O2/c1-16-6-5-7-17(2)25(16)29-23(32)15-30-21-8-3-4-9-22(21)31-24(33)14-20(28-26(30)31)18-10-12-19(27)13-11-18/h3-14H,15H2,1-2H3,(H,29,32)
InChIKeyWTGTVVZKUKCIQY-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.71
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide

N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide (PubChem CID 45031658) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
PubChem CID45031658
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C26H21FN4O2/c1-16-6-5-7-17(2)25(16)29-23(32)15-30-21-8-3-4-9-22(21)31-24(33)14-20(28-26(30)31)18-10-12-19(27)13-11-18/h3-14H,15H2,1-2H3,(H,29,32)
InChIKeyWTGTVVZKUKCIQY-UHFFFAOYSA-N
XLogP4.71
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031670
ethyl 2-[[2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetyl]amino]benzoate
CID 45031679
N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031629
2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2-methylphenyl)acetamide
CID 45031752
N-(3-methylsulfanylphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031465
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 91887588
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279274
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)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368751
N-(2,6-dimethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061517
2-[2-(3-chlorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 45031617
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide (CID 45031658) is N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide is Cc1cccc(C)c1NC(=O)Cn1c2ccccc2n2c(=O)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide?
The InChIKey is WTGTVVZKUKCIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-16-6-5-7-17(2)25(16)29-23(32)15-30-21-8-3-4-9-22(21)31-24(33)14-20(28-26(30)31)18-10-12-19(27)13-11-18/h3-14H,15H2,1-2H3,(H,29,32).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide has a molecular weight of 440.48 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide is sourced from PubChem (CID 45031658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).