4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine

C17H16N4O2 — CID 56866265

IUPAC4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine
SMILESCC(c1ccncn1)n1ccnc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H16N4O2/c1-12(14-4-5-18-11-20-14)21-7-6-19-17(21)13-2-3-15-16(10-13)23-9-8-22-15/h2-7,10-12H,8-9H2,1H3
InChIKeyAHFFRMKJOXXJBT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.72
Rot. Bonds3

About 4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine

4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine (PubChem CID 56866265) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine.

Molecular Properties

Compound Name4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine
PubChem CID56866265
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine
SMILESCC(c1ccncn1)n1ccnc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H16N4O2/c1-12(14-4-5-18-11-20-14)21-7-6-19-17(21)13-2-3-15-16(10-13)23-9-8-22-15/h2-7,10-12H,8-9H2,1H3
InChIKeyAHFFRMKJOXXJBT-UHFFFAOYSA-N
XLogP2.72
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine
CID 50966733
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
CID 146040358
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrimidin-4-yl)methyl]ethanamine
CID 63990205
2-[2-(1,3-benzodioxol-5-yl)imidazol-1-yl]-3-phenylpropanoic acid
CID 56870852
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-propan-2-yloxyimidazo[1,2-a]pyrazine
CID 163318298
2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole
CID 58947269
2-[4-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazin-1-yl]pyrimidine
CID 118902935
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905172
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine
CID 115530049
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527889
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
CID 66461480

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine?
The IUPAC name of 4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine (CID 56866265) is 4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine.
What is the SMILES notation for 4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine?
The canonical SMILES for 4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine is CC(c1ccncn1)n1ccnc1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine?
The InChIKey is AHFFRMKJOXXJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12(14-4-5-18-11-20-14)21-7-6-19-17(21)13-2-3-15-16(10-13)23-9-8-22-15/h2-7,10-12H,8-9H2,1H3.
What are the key properties of 4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine?
4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine has a molecular weight of 308.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine is sourced from PubChem (CID 56866265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).