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

C24H21BrN4O2 — CID 59089733

IUPACN-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C24H21BrN4O2/c1-29-13-12-26-23(29)17-8-6-16(7-9-17)21(30)14-18-4-2-3-5-20(18)24(31)28-22-11-10-19(25)15-27-22/h2-11,15H,12-14H2,1H3,(H,27,28,31)
InChIKeyXFBZXDIVNCUSSM-UHFFFAOYSA-N
MW477.36 g/mol
LogP4.21
Rot. Bonds6

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

N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (PubChem CID 59089733) has the molecular formula C24H21BrN4O2 and a molecular weight of 477.36 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
PubChem CID59089733
Molecular FormulaC24H21BrN4O2
Molecular Weight477.36 g/mol
Exact Mass476.08
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C24H21BrN4O2/c1-29-13-12-26-23(29)17-8-6-16(7-9-17)21(30)14-18-4-2-3-5-20(18)24(31)28-22-11-10-19(25)15-27-22/h2-11,15H,12-14H2,1H3,(H,27,28,31)
InChIKeyXFBZXDIVNCUSSM-UHFFFAOYSA-N
XLogP4.21
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (CID 59089733) is N-(5-bromo-2-pyridinyl)-2-[2-[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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide is CN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is XFBZXDIVNCUSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O2/c1-29-13-12-26-23(29)17-8-6-16(7-9-17)21(30)14-18-4-2-3-5-20(18)24(31)28-22-11-10-19(25)15-27-22/h2-11,15H,12-14H2,1H3,(H,27,28,31).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 477.36 g/mol, XLogP of 4.21, 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-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 59089733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).