3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide

C21H18N4O — CID 7080309

IUPAC3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)c1
InChIInChI=1S/C21H18N4O/c1-14-6-3-8-17(12-14)20(26)23-18-9-4-7-16(13-18)19-15(2)25-11-5-10-22-21(25)24-19/h3-13H,1-2H3,(H,23,26)
InChIKeyPYOCVZVJQCSAAS-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.27
Rot. Bonds3

About 3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide

3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide (PubChem CID 7080309) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
PubChem CID7080309
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)c1
InChIInChI=1S/C21H18N4O/c1-14-6-3-8-17(12-14)20(26)23-18-9-4-7-16(13-18)19-15(2)25-11-5-10-22-21(25)24-19/h3-13H,1-2H3,(H,23,26)
InChIKeyPYOCVZVJQCSAAS-UHFFFAOYSA-N
XLogP4.27
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 7080310
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide
CID 7080334
1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 7080345
1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033214
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoxaline-2-carboxamide
CID 122285827
2-chloro-6-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 34879780
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide
CID 121024151
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide
CID 122285789
1-(2-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033218
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 7080306
2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide
CID 121024155
3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide
CID 122285837

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide (CID 7080309) is 3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide is Cc1cccc(C(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)c1.
What is the InChIKey of 3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?
The InChIKey is PYOCVZVJQCSAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-6-3-8-17(12-14)20(26)23-18-9-4-7-16(13-18)19-15(2)25-11-5-10-22-21(25)24-19/h3-13H,1-2H3,(H,23,26).
What are the key properties of 3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide?
3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide is sourced from PubChem (CID 7080309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).