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

C22H20N4O3 — CID 7080215

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1
InChIInChI=1S/C22H20N4O3/c1-14-5-6-15(20-13-26-8-4-7-23-22(26)25-20)11-19(14)24-21(27)16-9-17(28-2)12-18(10-16)29-3/h4-13H,1-3H3,(H,24,27)
InChIKeyOUFRDVWPQVPCOV-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.97
Rot. Bonds5

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

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide (PubChem CID 7080215) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide
PubChem CID7080215
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1
InChIInChI=1S/C22H20N4O3/c1-14-5-6-15(20-13-26-8-4-7-23-22(26)25-20)11-19(14)24-21(27)16-9-17(28-2)12-18(10-16)29-3/h4-13H,1-3H3,(H,24,27)
InChIKeyOUFRDVWPQVPCOV-UHFFFAOYSA-N
XLogP3.97
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide (CID 7080215) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)c1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide?
The InChIKey is OUFRDVWPQVPCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-5-6-15(20-13-26-8-4-7-23-22(26)25-20)11-19(14)24-21(27)16-9-17(28-2)12-18(10-16)29-3/h4-13H,1-3H3,(H,24,27).
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide has a molecular weight of 388.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 7080215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).