N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide

C23H19BrFN5O2 — CID 10117573

IUPACN-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C23H19BrFN5O2/c1-30-11-10-26-21(30)14-2-4-15(5-3-14)22(31)28-19-8-7-17(25)12-18(19)23(32)29-20-9-6-16(24)13-27-20/h2-9,12-13H,10-11H2,1H3,(H,28,31)(H,27,29,32)
InChIKeyVGKLAFJAZLEECD-UHFFFAOYSA-N
MW496.34 g/mol
LogP4.18
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide

N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide (PubChem CID 10117573) has the molecular formula C23H19BrFN5O2 and a molecular weight of 496.34 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
PubChem CID10117573
Molecular FormulaC23H19BrFN5O2
Molecular Weight496.34 g/mol
Exact Mass495.07
IUPAC NameN-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C23H19BrFN5O2/c1-30-11-10-26-21(30)14-2-4-15(5-3-14)22(31)28-19-8-7-17(25)12-18(19)23(32)29-20-9-6-16(24)13-27-20/h2-9,12-13H,10-11H2,1H3,(H,28,31)(H,27,29,32)
InChIKeyVGKLAFJAZLEECD-UHFFFAOYSA-N
XLogP4.18
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide (CID 10117573) is N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide is CN1CCN=C1c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
The InChIKey is VGKLAFJAZLEECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN5O2/c1-30-11-10-26-21(30)14-2-4-15(5-3-14)22(31)28-19-8-7-17(25)12-18(19)23(32)29-20-9-6-16(24)13-27-20/h2-9,12-13H,10-11H2,1H3,(H,28,31)(H,27,29,32).
What are the key properties of N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide has a molecular weight of 496.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 10117573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).