4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole

C22H14FN3 — CID 132502018

IUPAC4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole
SMILESFc1ccc(-c2cc(-c3ccccc3)nc3nc4ccccc4n23)cc1
InChIInChI=1S/C22H14FN3/c23-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)25-22-24-18-8-4-5-9-20(18)26(21)22/h1-14H
InChIKeyZOKJIZLUALDBMD-UHFFFAOYSA-N
MW339.37 g/mol
LogP5.36
Rot. Bonds2

About 4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole

4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole (PubChem CID 132502018) has the molecular formula C22H14FN3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole
PubChem CID132502018
Molecular FormulaC22H14FN3
Molecular Weight339.37 g/mol
Exact Mass339.12
IUPAC Name4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole
SMILESFc1ccc(-c2cc(-c3ccccc3)nc3nc4ccccc4n23)cc1
InChIInChI=1S/C22H14FN3/c23-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)25-22-24-18-8-4-5-9-20(18)26(21)22/h1-14H
InChIKeyZOKJIZLUALDBMD-UHFFFAOYSA-N
XLogP5.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.37
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502940
4-(4-phenanthren-9-ylphenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 122503004
8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole
CID 122503020
2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502958
2-phenyl-4-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 132502019
4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
4-[4-(4-phenylpyrimido[1,2-a]benzimidazol-2-yl)naphthalen-1-yl]benzonitrile
CID 122504593
4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 122378727
2-[4-[3-(benzenesulfinyl)phenyl]naphthalen-1-yl]-4-phenylpyrimido[1,2-a]benzimidazole
CID 122503029
4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine
CID 171663395
9-phenyl-6-[10-(4-phenylpyrimido[1,2-a]benzimidazol-2-yl)anthracen-9-yl]carbazole-3-carbonitrile
CID 122502970
S-[4-(4-fluorophenyl)-2,5,7-triazatricyclo[6.5.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-3-yl] propanethioate
CID 14997534

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole (CID 132502018) is 4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole is Fc1ccc(-c2cc(-c3ccccc3)nc3nc4ccccc4n23)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole?
The InChIKey is ZOKJIZLUALDBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN3/c23-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)25-22-24-18-8-4-5-9-20(18)26(21)22/h1-14H.
What are the key properties of 4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole?
4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole has a molecular weight of 339.37 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 132502018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).