2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide

C22H19ClN4O2 — CID 7080181

IUPAC2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C22H19ClN4O2/c1-22(2,29-18-9-7-16(23)8-10-18)20(28)25-17-6-3-5-15(13-17)19-14-27-12-4-11-24-21(27)26-19/h3-14H,1-2H3,(H,25,28)
InChIKeyKRWYVEBMLQUMJT-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.85
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide (PubChem CID 7080181) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide
PubChem CID7080181
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C22H19ClN4O2/c1-22(2,29-18-9-7-16(23)8-10-18)20(28)25-17-6-3-5-15(13-17)19-14-27-12-4-11-24-21(27)26-19/h3-14H,1-2H3,(H,25,28)
InChIKeyKRWYVEBMLQUMJT-UHFFFAOYSA-N
XLogP4.85
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide (CID 7080181) is 2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide?
The InChIKey is KRWYVEBMLQUMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-22(2,29-18-9-7-16(23)8-10-18)20(28)25-17-6-3-5-15(13-17)19-14-27-12-4-11-24-21(27)26-19/h3-14H,1-2H3,(H,25,28).
What are the key properties of 2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide has a molecular weight of 406.87 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylpropanamide is sourced from PubChem (CID 7080181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).