4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine

C23H20N4O2 — CID 50966733

IUPAC4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine
SMILESCC(c1ccncn1)n1cnc(-c2ccccc2)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H20N4O2/c1-16(19-9-10-24-14-25-19)27-15-26-22(17-5-3-2-4-6-17)23(27)18-7-8-20-21(13-18)29-12-11-28-20/h2-10,13-16H,11-12H2,1H3
InChIKeyYNRHAINMSKYUCT-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.39
Rot. Bonds4

About 4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine

4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine (PubChem CID 50966733) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine.

Molecular Properties

Compound Name4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine
PubChem CID50966733
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine
SMILESCC(c1ccncn1)n1cnc(-c2ccccc2)c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H20N4O2/c1-16(19-9-10-24-14-25-19)27-15-26-22(17-5-3-2-4-6-17)23(27)18-7-8-20-21(13-18)29-12-11-28-20/h2-10,13-16H,11-12H2,1H3
InChIKeyYNRHAINMSKYUCT-UHFFFAOYSA-N
XLogP4.39
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-1-yl]ethyl]pyrimidine
CID 56866265
5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole
CID 95131006
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198328
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905172
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrimidin-4-yl)methyl]ethanamine
CID 63990205
N-methyl-3-phenyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 126446006
3-phenyl-5-(1-pyrimidin-4-ylethoxy)-1H-indazole
CID 156578148
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986790
5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
CID 95190090
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole
CID 102314200
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-imidazol-1-yl-1-(2-methylphenyl)-3-methylsulfanylpyrazole
CID 156757044
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 83285566

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine?
The IUPAC name of 4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine (CID 50966733) is 4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine.
What is the SMILES notation for 4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine?
The canonical SMILES for 4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine is CC(c1ccncn1)n1cnc(-c2ccccc2)c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine?
The InChIKey is YNRHAINMSKYUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-16(19-9-10-24-14-25-19)27-15-26-22(17-5-3-2-4-6-17)23(27)18-7-8-20-21(13-18)29-12-11-28-20/h2-10,13-16H,11-12H2,1H3.
What are the key properties of 4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine?
4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine has a molecular weight of 384.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylimidazol-1-yl]ethyl]pyrimidine is sourced from PubChem (CID 50966733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).