N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide

C24H21BrClN5O2 — CID 59089700

IUPACN-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(Br)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1
InChIInChI=1S/C24H21BrClN5O2/c1-14-11-18(26)12-19(24(33)29-20-8-7-17(25)13-28-20)21(14)30-23(32)16-5-3-15(4-6-16)22-27-9-10-31(22)2/h3-8,11-13H,9-10H2,1-2H3,(H,30,32)(H,28,29,33)
InChIKeyXHLJELIYVFZVAT-UHFFFAOYSA-N
MW526.82 g/mol
LogP5.00
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide

N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide (PubChem CID 59089700) has the molecular formula C24H21BrClN5O2 and a molecular weight of 526.82 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
PubChem CID59089700
Molecular FormulaC24H21BrClN5O2
Molecular Weight526.82 g/mol
Exact Mass525.06
IUPAC NameN-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
SMILESCc1cc(Cl)cc(C(=O)Nc2ccc(Br)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1
InChIInChI=1S/C24H21BrClN5O2/c1-14-11-18(26)12-19(24(33)29-20-8-7-17(25)13-28-20)21(14)30-23(32)16-5-3-15(4-6-16)22-27-9-10-31(22)2/h3-8,11-13H,9-10H2,1-2H3,(H,30,32)(H,28,29,33)
InChIKeyXHLJELIYVFZVAT-UHFFFAOYSA-N
XLogP5.00
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.82
LogP ≤ 55.00
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-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide (CID 59089700) is N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide is Cc1cc(Cl)cc(C(=O)Nc2ccc(Br)cn2)c1NC(=O)c1ccc(C2=NCCN2C)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
The InChIKey is XHLJELIYVFZVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrClN5O2/c1-14-11-18(26)12-19(24(33)29-20-8-7-17(25)13-28-20)21(14)30-23(32)16-5-3-15(4-6-16)22-27-9-10-31(22)2/h3-8,11-13H,9-10H2,1-2H3,(H,30,32)(H,28,29,33).
What are the key properties of N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
N-(5-bromo-2-pyridinyl)-5-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide has a molecular weight of 526.82 g/mol, XLogP of 5.00, 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-chloro-3-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 59089700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).