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

C24H20BrFN4O2 — CID 59585485

IUPACN-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)c(F)c1
InChIInChI=1S/C24H20BrFN4O2/c1-30-11-10-27-23(30)16-6-8-19(20(26)12-16)21(31)13-15-4-2-3-5-18(15)24(32)29-22-9-7-17(25)14-28-22/h2-9,12,14H,10-11,13H2,1H3,(H,28,29,32)
InChIKeyGDOAXSOFOMUJKE-UHFFFAOYSA-N
MW495.35 g/mol
LogP4.35
Rot. Bonds6

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

N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (PubChem CID 59585485) has the molecular formula C24H20BrFN4O2 and a molecular weight of 495.35 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
PubChem CID59585485
Molecular FormulaC24H20BrFN4O2
Molecular Weight495.35 g/mol
Exact Mass494.08
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)c(F)c1
InChIInChI=1S/C24H20BrFN4O2/c1-30-11-10-27-23(30)16-6-8-19(20(26)12-16)21(31)13-15-4-2-3-5-18(15)24(32)29-22-9-7-17(25)14-28-22/h2-9,12,14H,10-11,13H2,1H3,(H,28,29,32)
InChIKeyGDOAXSOFOMUJKE-UHFFFAOYSA-N
XLogP4.35
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

PETT deriv. 15
CID 492704
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CID 44393197
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4-benzoyl-N-(5-methylpyridin-2-yl)benzamide
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4-benzoyl-N-(4-methylpyridin-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (CID 59585485) is N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide is CN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)c(F)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is GDOAXSOFOMUJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrFN4O2/c1-30-11-10-27-23(30)16-6-8-19(20(26)12-16)21(31)13-15-4-2-3-5-18(15)24(32)29-22-9-7-17(25)14-28-22/h2-9,12,14H,10-11,13H2,1H3,(H,28,29,32).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 495.35 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 59585485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).