2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline

C25H17FN4 — CID 129200395

IUPAC2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline
SMILESNc1ccccc1-c1cc2nc3n(-c4ccccc4)c4ccccc4n3c2cc1F
InChIInChI=1S/C25H17FN4/c26-19-15-24-21(14-18(19)17-10-4-5-11-20(17)27)28-25-29(16-8-2-1-3-9-16)22-12-6-7-13-23(22)30(24)25/h1-15H,27H2
InChIKeySFEULUDBOYZFBS-UHFFFAOYSA-N
MW392.44 g/mol
LogP5.82
Rot. Bonds2

About 2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline

2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline (PubChem CID 129200395) has the molecular formula C25H17FN4 and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline.

Molecular Properties

Compound Name2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline
PubChem CID129200395
Molecular FormulaC25H17FN4
Molecular Weight392.44 g/mol
Exact Mass392.14
IUPAC Name2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline
SMILESNc1ccccc1-c1cc2nc3n(-c4ccccc4)c4ccccc4n3c2cc1F
InChIInChI=1S/C25H17FN4/c26-19-15-24-21(14-18(19)17-10-4-5-11-20(17)27)28-25-29(16-8-2-1-3-9-16)22-12-6-7-13-23(22)30(24)25/h1-15H,27H2
InChIKeySFEULUDBOYZFBS-UHFFFAOYSA-N
XLogP5.82
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.44
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;1,4-dibromo-2-fluorobenzene;1-phenylbenzimidazol-2-amine
CID 157473881
6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole
CID 56970734
2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 123894505
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140911181
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline?
The IUPAC name of 2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline (CID 129200395) is 2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline.
What is the SMILES notation for 2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline?
The canonical SMILES for 2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline is Nc1ccccc1-c1cc2nc3n(-c4ccccc4)c4ccccc4n3c2cc1F.
What is the InChIKey of 2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline?
The InChIKey is SFEULUDBOYZFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4/c26-19-15-24-21(14-18(19)17-10-4-5-11-20(17)27)28-25-29(16-8-2-1-3-9-16)22-12-6-7-13-23(22)30(24)25/h1-15H,27H2.
What are the key properties of 2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline?
2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline has a molecular weight of 392.44 g/mol, XLogP of 5.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline is sourced from PubChem (CID 129200395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).