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

C20H14BrClN4O — CID 27536916

IUPAC5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H14BrClN4O/c1-12-3-4-13(18-11-26-8-2-7-23-20(26)25-18)9-17(12)24-19(27)15-10-14(21)5-6-16(15)22/h2-11H,1H3,(H,24,27)
InChIKeyVLGYLPVAIOATEN-UHFFFAOYSA-N
MW441.72 g/mol
LogP5.37
Rot. Bonds3

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

5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide (PubChem CID 27536916) has the molecular formula C20H14BrClN4O and a molecular weight of 441.72 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
PubChem CID27536916
Molecular FormulaC20H14BrClN4O
Molecular Weight441.72 g/mol
Exact Mass440.00
IUPAC Name5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H14BrClN4O/c1-12-3-4-13(18-11-26-8-2-7-23-20(26)25-18)9-17(12)24-19(27)15-10-14(21)5-6-16(15)22/h2-11H,1H3,(H,24,27)
InChIKeyVLGYLPVAIOATEN-UHFFFAOYSA-N
XLogP5.37
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.72
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
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-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
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
1-(3-chloro-4-methoxyphenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033137
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide
CID 122285263
4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080212
2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide
CID 155091264
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(trifluoromethoxy)benzamide
CID 122285351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide (CID 27536916) is 5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide is Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The InChIKey is VLGYLPVAIOATEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN4O/c1-12-3-4-13(18-11-26-8-2-7-23-20(26)25-18)9-17(12)24-19(27)15-10-14(21)5-6-16(15)22/h2-11H,1H3,(H,24,27).
What are the key properties of 5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide has a molecular weight of 441.72 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide is sourced from PubChem (CID 27536916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).