N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide

C74H67BrCl2N12O6 — CID 158588440

IUPACN-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCCN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.CN1CCCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.CN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C25H23BrN4O2.C25H23ClN4O2.C24H21ClN4O2/c1-2-30-14-13-27-24(30)18-9-7-17(8-10-18)22(31)15-19-5-3-4-6-21(19)25(32)29-23-12-11-20(26)16-28-23;1-30-14-4-13-27-24(30)18-9-7-17(8-10-18)22(31)15-19-5-2-3-6-21(19)25(32)29-23-12-11-20(26)16-28-23;1-29-13-12-26-23(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/h3-12,16H,2,13-15H2,1H3,(H,28,29,32);2-3,5-12,16H,4,13-15H2,1H3,(H,28,29,32);2-11,15H,12-14H2,1H3,(H,27,28,31)
InChIKeyHUCZFOQSAXQBTO-UHFFFAOYSA-N
MW1371.24 g/mol
LogP13.20
Rot. Bonds19

About N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide

N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide (PubChem CID 158588440) has the molecular formula C74H67BrCl2N12O6 and a molecular weight of 1371.24 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide
PubChem CID158588440
Molecular FormulaC74H67BrCl2N12O6
Molecular Weight1371.24 g/mol
Exact Mass1368.39
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide
SMILESCCN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.CN1CCCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.CN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C25H23BrN4O2.C25H23ClN4O2.C24H21ClN4O2/c1-2-30-14-13-27-24(30)18-9-7-17(8-10-18)22(31)15-19-5-3-4-6-21(19)25(32)29-23-12-11-20(26)16-28-23;1-30-14-4-13-27-24(30)18-9-7-17(8-10-18)22(31)15-19-5-2-3-6-21(19)25(32)29-23-12-11-20(26)16-28-23;1-29-13-12-26-23(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/h3-12,16H,2,13-15H2,1H3,(H,28,29,32);2-3,5-12,16H,4,13-15H2,1H3,(H,28,29,32);2-11,15H,12-14H2,1H3,(H,27,28,31)
InChIKeyHUCZFOQSAXQBTO-UHFFFAOYSA-N
XLogP13.20
TPSA223.98 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001371.24
LogP ≤ 513.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 59585476
N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 59089733
N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 59585413
N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 59585444
N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 59585459
N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 59585463
N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 59585479
N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 59585482
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 91059370
N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide)
CID 91354821
N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide)
CID 91449022
N-(5-bromo-2-pyridinyl)-4-[[[4-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]benzenecarboximidoyl]-methylamino]methyl]-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide
CID 142082971

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide (CID 158588440) is N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide is CCN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.CN1CCCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.CN1CCN=C1c1ccc(C(=O)Cc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is HUCZFOQSAXQBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN4O2.C25H23ClN4O2.C24H21ClN4O2/c1-2-30-14-13-27-24(30)18-9-7-17(8-10-18)22(31)15-19-5-3-4-6-21(19)25(32)29-23-12-11-20(26)16-28-23;1-30-14-4-13-27-24(30)18-9-7-17(8-10-18)22(31)15-19-5-2-3-6-21(19)25(32)29-23-12-11-20(26)16-28-23;1-29-13-12-26-23(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/h3-12,16H,2,13-15H2,1H3,(H,28,29,32);2-3,5-12,16H,4,13-15H2,1H3,(H,28,29,32);2-11,15H,12-14H2,1H3,(H,27,28,31).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide?
N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 1371.24 g/mol, XLogP of 13.20, 19 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 158588440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).