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

C22H18N4O3 — CID 122285341

IUPAC2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C22H18N4O3/c1-14-3-5-16(18-12-26-8-2-7-23-22(26)25-18)11-17(14)24-21(27)10-15-4-6-19-20(9-15)29-13-28-19/h2-9,11-12H,10,13H2,1H3,(H,24,27)
InChIKeyZEZZOXJZOBFHNX-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.61
Rot. Bonds4

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

2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide (PubChem CID 122285341) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide
PubChem CID122285341
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C22H18N4O3/c1-14-3-5-16(18-12-26-8-2-7-23-22(26)25-18)11-17(14)24-21(27)10-15-4-6-19-20(9-15)29-13-28-19/h2-9,11-12H,10,13H2,1H3,(H,24,27)
InChIKeyZEZZOXJZOBFHNX-UHFFFAOYSA-N
XLogP3.61
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)propanamide
CID 7080200
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)cyclopentanecarboxamide
CID 7080197
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-phenyloxane-4-carboxamide
CID 122285268
1-(2-fluorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033147
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080212
5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 27536916
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(3-methylphenyl)acetamide
CID 7080185
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 122285267
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-naphthalen-1-ylacetamide
CID 122285464
1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121033146

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide (CID 122285341) is 2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide is Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide?
The InChIKey is ZEZZOXJZOBFHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-14-3-5-16(18-12-26-8-2-7-23-22(26)25-18)11-17(14)24-21(27)10-15-4-6-19-20(9-15)29-13-28-19/h2-9,11-12H,10,13H2,1H3,(H,24,27).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide has a molecular weight of 386.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide is sourced from PubChem (CID 122285341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).