2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide

C23H22N4O2 — CID 122285872

IUPAC2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)cc1C
InChIInChI=1S/C23H22N4O2/c1-15-12-17(8-9-20(15)29-3)13-21(28)25-19-7-4-6-18(14-19)22-16(2)27-11-5-10-24-23(27)26-22/h4-12,14H,13H2,1-3H3,(H,25,28)
InChIKeyQWHAVCZHUWSBAN-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.20
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide

2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide (PubChem CID 122285872) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide
PubChem CID122285872
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)cc1C
InChIInChI=1S/C23H22N4O2/c1-15-12-17(8-9-20(15)29-3)13-21(28)25-19-7-4-6-18(14-19)22-16(2)27-11-5-10-24-23(27)26-22/h4-12,14H,13H2,1-3H3,(H,25,28)
InChIKeyQWHAVCZHUWSBAN-UHFFFAOYSA-N
XLogP4.20
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide (CID 122285872) is 2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide is COc1ccc(CC(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)cc1C.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide?
The InChIKey is QWHAVCZHUWSBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15-12-17(8-9-20(15)29-3)13-21(28)25-19-7-4-6-18(14-19)22-16(2)27-11-5-10-24-23(27)26-22/h4-12,14H,13H2,1-3H3,(H,25,28).
What are the key properties of 2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide?
2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide has a molecular weight of 386.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide is sourced from PubChem (CID 122285872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).