2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide

C17H15N5O3 — CID 122301058

IUPAC2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1nccn1-c1ncc(NC(=O)Cc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C17H15N5O3/c1-11-18-4-5-22(11)17-19-8-13(9-20-17)21-16(23)7-12-2-3-14-15(6-12)25-10-24-14/h2-6,8-9H,7,10H2,1H3,(H,21,23)
InChIKeyYFLPKBCXGODURF-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.88
Rot. Bonds4

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

2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 122301058) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
PubChem CID122301058
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1nccn1-c1ncc(NC(=O)Cc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C17H15N5O3/c1-11-18-4-5-22(11)17-19-8-13(9-20-17)21-16(23)7-12-2-3-14-15(6-12)25-10-24-14/h2-6,8-9H,7,10H2,1H3,(H,21,23)
InChIKeyYFLPKBCXGODURF-UHFFFAOYSA-N
XLogP1.88
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
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CID 122300676
2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
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N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide
CID 121112648
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea
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2-(1,3-benzodioxol-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
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CID 87044762
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499
2-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 41107614
N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide (CID 122301058) is 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide is Cc1nccn1-c1ncc(NC(=O)Cc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is YFLPKBCXGODURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-11-18-4-5-22(11)17-19-8-13(9-20-17)21-16(23)7-12-2-3-14-15(6-12)25-10-24-14/h2-6,8-9H,7,10H2,1H3,(H,21,23).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122301058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).