3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide

C27H19FN4O2 — CID 44523644

IUPAC3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)c1
InChIInChI=1S/C27H19FN4O2/c28-21-9-12-23-24(15-21)32-26(31-23)19-5-1-3-17(13-19)16-7-10-22(11-8-16)30-27(34)20-6-2-4-18(14-20)25(29)33/h1-15H,(H2,29,33)(H,30,34)(H,31,32)
InChIKeyHYYANCGBOQXVGM-UHFFFAOYSA-N
MW450.47 g/mol
LogP5.39
Rot. Bonds5

About 3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide

3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide (PubChem CID 44523644) has the molecular formula C27H19FN4O2 and a molecular weight of 450.47 g/mol. Its IUPAC name is 3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide
PubChem CID44523644
Molecular FormulaC27H19FN4O2
Molecular Weight450.47 g/mol
Exact Mass450.15
IUPAC Name3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)c1
InChIInChI=1S/C27H19FN4O2/c28-21-9-12-23-24(15-21)32-26(31-23)19-5-1-3-17(13-19)16-7-10-22(11-8-16)30-27(34)20-6-2-4-18(14-20)25(29)33/h1-15H,(H2,29,33)(H,30,34)(H,31,32)
InChIKeyHYYANCGBOQXVGM-UHFFFAOYSA-N
XLogP5.39
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.47
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide (CID 44523644) is 3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)c1.
What is the InChIKey of 3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide?
The InChIKey is HYYANCGBOQXVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4O2/c28-21-9-12-23-24(15-21)32-26(31-23)19-5-1-3-17(13-19)16-7-10-22(11-8-16)30-27(34)20-6-2-4-18(14-20)25(29)33/h1-15H,(H2,29,33)(H,30,34)(H,31,32).
What are the key properties of 3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide?
3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide has a molecular weight of 450.47 g/mol, XLogP of 5.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 44523644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).