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

C20H15BrN4O — CID 7080226

IUPAC3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C20H15BrN4O/c1-13-6-7-14(18-12-25-9-3-8-22-20(25)24-18)11-17(13)23-19(26)15-4-2-5-16(21)10-15/h2-12H,1H3,(H,23,26)
InChIKeyGVIVQGZCOIDVOQ-UHFFFAOYSA-N
MW407.27 g/mol
LogP4.72
Rot. Bonds3

About 3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide

3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide (PubChem CID 7080226) has the molecular formula C20H15BrN4O and a molecular weight of 407.27 g/mol. Its IUPAC name is 3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
PubChem CID7080226
Molecular FormulaC20H15BrN4O
Molecular Weight407.27 g/mol
Exact Mass406.04
IUPAC Name3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C20H15BrN4O/c1-13-6-7-14(18-12-25-9-3-8-22-20(25)24-18)11-17(13)23-19(26)15-4-2-5-16(21)10-15/h2-12H,1H3,(H,23,26)
InChIKeyGVIVQGZCOIDVOQ-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

5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 27536916
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 122285278
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 122285267
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(trifluoromethoxy)benzamide
CID 122285351
3-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055687
4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080212
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
1-(2-fluorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033147
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)cyclopentanecarboxamide
CID 7080197
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide
CID 122285263

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The IUPAC name of 3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide (CID 7080226) is 3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide is Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The InChIKey is GVIVQGZCOIDVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O/c1-13-6-7-14(18-12-25-9-3-8-22-20(25)24-18)11-17(13)23-19(26)15-4-2-5-16(21)10-15/h2-12H,1H3,(H,23,26).
What are the key properties of 3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
3-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 3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide is sourced from PubChem (CID 7080226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).