N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide

C22H20N4O2 — CID 7080260

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H20N4O2/c1-14-9-15(2)11-17(10-14)21(27)24-18-12-16(5-6-20(18)28-3)19-13-26-8-4-7-23-22(26)25-19/h4-13H,1-3H3,(H,24,27)
InChIKeyKLQNXTCXXUFIAS-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.27
Rot. Bonds4

About N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide (PubChem CID 7080260) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide
PubChem CID7080260
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H20N4O2/c1-14-9-15(2)11-17(10-14)21(27)24-18-12-16(5-6-20(18)28-3)19-13-26-8-4-7-23-22(26)25-19/h4-13H,1-3H3,(H,24,27)
InChIKeyKLQNXTCXXUFIAS-UHFFFAOYSA-N
XLogP4.27
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide (CID 7080260) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide is COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide?
The InChIKey is KLQNXTCXXUFIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-9-15(2)11-17(10-14)21(27)24-18-12-16(5-6-20(18)28-3)19-13-26-8-4-7-23-22(26)25-19/h4-13H,1-3H3,(H,24,27).
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide has a molecular weight of 372.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 7080260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).