N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

C27H20FN5O3 — CID 55581875

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)Nc1ccccc1F
InChIInChI=1S/C27H20FN5O3/c28-20-8-2-3-9-21(20)32-26(34)16-36-24-12-6-1-7-19(24)27(35)31-18-13-14-25(29-15-18)33-17-30-22-10-4-5-11-23(22)33/h1-15,17H,16H2,(H,31,35)(H,32,34)
InChIKeyIIPRTJDWQDTJAI-UHFFFAOYSA-N
MW481.49 g/mol
LogP4.83
Rot. Bonds7

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 55581875) has the molecular formula C27H20FN5O3 and a molecular weight of 481.49 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
PubChem CID55581875
Molecular FormulaC27H20FN5O3
Molecular Weight481.49 g/mol
Exact Mass481.16
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)Nc1ccccc1F
InChIInChI=1S/C27H20FN5O3/c28-20-8-2-3-9-21(20)32-26(34)16-36-24-12-6-1-7-19(24)27(35)31-18-13-14-25(29-15-18)33-17-30-22-10-4-5-11-23(22)33/h1-15,17H,16H2,(H,31,35)(H,32,34)
InChIKeyIIPRTJDWQDTJAI-UHFFFAOYSA-N
XLogP4.83
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (CID 55581875) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is O=C(COc1ccccc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1)Nc1ccccc1F.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The InChIKey is IIPRTJDWQDTJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5O3/c28-20-8-2-3-9-21(20)32-26(34)16-36-24-12-6-1-7-19(24)27(35)31-18-13-14-25(29-15-18)33-17-30-22-10-4-5-11-23(22)33/h1-15,17H,16H2,(H,31,35)(H,32,34).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 481.49 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55581875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).