6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid

C27H16F2N4O2 — CID 141290745

IUPAC6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2c1ncn2-c1cc(-n2cnc3ccc(F)cc32)ccc1-c1ccccc1
InChIInChI=1S/C27H16F2N4O2/c28-17-6-9-22-24(11-17)32(14-30-22)19-7-8-20(16-4-2-1-3-5-16)23(13-19)33-15-31-26-21(27(34)35)10-18(29)12-25(26)33/h1-15H,(H,34,35)
InChIKeyMXZRUENEMVTLKV-UHFFFAOYSA-N
MW466.45 g/mol
LogP6.01
Rot. Bonds4

About 6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid

6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid (PubChem CID 141290745) has the molecular formula C27H16F2N4O2 and a molecular weight of 466.45 g/mol. Its IUPAC name is 6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
PubChem CID141290745
Molecular FormulaC27H16F2N4O2
Molecular Weight466.45 g/mol
Exact Mass466.12
IUPAC Name6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2c1ncn2-c1cc(-n2cnc3ccc(F)cc32)ccc1-c1ccccc1
InChIInChI=1S/C27H16F2N4O2/c28-17-6-9-22-24(11-17)32(14-30-22)19-7-8-20(16-4-2-1-3-5-16)23(13-19)33-15-31-26-21(27(34)35)10-18(29)12-25(26)33/h1-15H,(H,34,35)
InChIKeyMXZRUENEMVTLKV-UHFFFAOYSA-N
XLogP6.01
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.45
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
CID 141290744
2-(benzimidazol-1-yl)-5-fluorobenzoic acid
CID 43313103
1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid
CID 115542827
6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 143868897
3-(2,3,5-trifluorophenyl)benzimidazole-5-carboxylic acid
CID 82774507
3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid
CID 115933592
3-(2-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790606
1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 107593291
5-fluoro-2-phenylbenzoyl chloride
CID 46314879
6-fluoro-3-methyl-2-(4-phenylbenzimidazol-1-yl)quinoline-4-carboxylate
CID 91930963
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid (CID 141290745) is 6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid is O=C(O)c1cc(F)cc2c1ncn2-c1cc(-n2cnc3ccc(F)cc32)ccc1-c1ccccc1.
What is the InChIKey of 6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid?
The InChIKey is MXZRUENEMVTLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F2N4O2/c28-17-6-9-22-24(11-17)32(14-30-22)19-7-8-20(16-4-2-1-3-5-16)23(13-19)33-15-31-26-21(27(34)35)10-18(29)12-25(26)33/h1-15H,(H,34,35).
What are the key properties of 6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid?
6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid has a molecular weight of 466.45 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 141290745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).