N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide

C14H12N4O — CID 3244105

IUPACN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C14H12N4O/c1-10(19)16-12-5-3-11(4-6-12)13-9-18-8-2-7-15-14(18)17-13/h2-9H,1H3,(H,16,19)
InChIKeyNMDMYKMTJOZMEE-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.35
Rot. Bonds2

About N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide (PubChem CID 3244105) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
PubChem CID3244105
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
SMILESCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C14H12N4O/c1-10(19)16-12-5-3-11(4-6-12)13-9-18-8-2-7-15-14(18)17-13/h2-9H,1H3,(H,16,19)
InChIKeyNMDMYKMTJOZMEE-UHFFFAOYSA-N
XLogP2.35
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide (CID 3244105) is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide is CC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide?
The InChIKey is NMDMYKMTJOZMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-10(19)16-12-5-3-11(4-6-12)13-9-18-8-2-7-15-14(18)17-13/h2-9H,1H3,(H,16,19).
What are the key properties of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide?
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide has a molecular weight of 252.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide is sourced from PubChem (CID 3244105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).