2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide

C20H15BrN4O — CID 7080225

IUPAC2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1Br
InChIInChI=1S/C20H15BrN4O/c1-13-7-8-14(18-12-25-10-4-9-22-20(25)24-18)11-17(13)23-19(26)15-5-2-3-6-16(15)21/h2-12H,1H3,(H,23,26)
InChIKeyJAKUKEANTOXKEF-UHFFFAOYSA-N
MW407.27 g/mol
LogP4.72
Rot. Bonds3

About 2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide

2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide (PubChem CID 7080225) has the molecular formula C20H15BrN4O and a molecular weight of 407.27 g/mol. Its IUPAC name is 2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
PubChem CID7080225
Molecular FormulaC20H15BrN4O
Molecular Weight407.27 g/mol
Exact Mass406.04
IUPAC Name2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1Br
InChIInChI=1S/C20H15BrN4O/c1-13-7-8-14(18-12-25-10-4-9-22-20(25)24-18)11-17(13)23-19(26)15-5-2-3-6-16(15)21/h2-12H,1H3,(H,23,26)
InChIKeyJAKUKEANTOXKEF-UHFFFAOYSA-N
XLogP4.72
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nilotinib
CID 644241
Radotinib
CID 16063245
Nilotinib Hydrochloride Anhydrous
CID 16006490
4-(tert-Butyl)-N-(3-(8-(phenylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)benzamide
CID 11397050
N-{3-[4-(3-Azido-phenyl)-5-pyridin-4-yl-imidazol-1-yl]-propyl}-4-iodo-benzamide
CID 44404442
N-(3-Bromo-5-(trifluoromethyl)phenyl)-4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide
CID 44621663
[4-[[2-(4-Bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 129216564
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748359
US9758524, Example 93
CID 71607919
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 5221932
2-fluoro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080296
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 875011

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide (CID 7080225) is 2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide is Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The InChIKey is JAKUKEANTOXKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O/c1-13-7-8-14(18-12-25-10-4-9-22-20(25)24-18)11-17(13)23-19(26)15-5-2-3-6-16(15)21/h2-12H,1H3,(H,23,26).
What are the key properties of 2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide has a molecular weight of 407.27 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide is sourced from PubChem (CID 7080225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).