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

C24H19BrF2N4O2 — CID 158651977

IUPACN-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C24H19BrF2N4O2/c1-31-9-8-28-23(31)15-4-2-14(3-5-15)21(32)11-16-10-19(26)20(27)12-18(16)24(33)30-22-7-6-17(25)13-29-22/h2-7,10,12-13H,8-9,11H2,1H3,(H,29,30,33)
InChIKeyKYMNKJKJSZUTMY-UHFFFAOYSA-N
MW513.34 g/mol
LogP4.49
Rot. Bonds6

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

N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (PubChem CID 158651977) has the molecular formula C24H19BrF2N4O2 and a molecular weight of 513.34 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
PubChem CID158651977
Molecular FormulaC24H19BrF2N4O2
Molecular Weight513.34 g/mol
Exact Mass512.07
IUPAC NameN-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Cc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C24H19BrF2N4O2/c1-31-9-8-28-23(31)15-4-2-14(3-5-15)21(32)11-16-10-19(26)20(27)12-18(16)24(33)30-22-7-6-17(25)13-29-22/h2-7,10,12-13H,8-9,11H2,1H3,(H,29,30,33)
InChIKeyKYMNKJKJSZUTMY-UHFFFAOYSA-N
XLogP4.49
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.34
LogP ≤ 54.49
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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CID 24980870
4-benzoyl-N-(4-methylpyridin-2-yl)benzamide
CID 24980950
N3-(6-acetamidopyridin-3-yl)-4-methyl-N1-(3-(trifluoromethyl)phenyl)isophthalamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide (CID 158651977) is N-(5-bromo-2-pyridinyl)-4,5-difluoro-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)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide is CN1CCN=C1c1ccc(C(=O)Cc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is KYMNKJKJSZUTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrF2N4O2/c1-31-9-8-28-23(31)15-4-2-14(3-5-15)21(32)11-16-10-19(26)20(27)12-18(16)24(33)30-22-7-6-17(25)13-29-22/h2-7,10,12-13H,8-9,11H2,1H3,(H,29,30,33).
What are the key properties of N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide?
N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 513.34 g/mol, XLogP of 4.49, 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)-4,5-difluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 158651977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).