2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole

C21H18F2N2O — CID 118303617

IUPAC2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole
SMILESCc1cccc(-c2nc(-c3c(F)cccc3F)[nH]c2C2=CCOCC2)c1
InChIInChI=1S/C21H18F2N2O/c1-13-4-2-5-15(12-13)20-19(14-8-10-26-11-9-14)24-21(25-20)18-16(22)6-3-7-17(18)23/h2-8,12H,9-11H2,1H3,(H,24,25)
InChIKeyDQHWPNGYYKSNRQ-UHFFFAOYSA-N
MW352.38 g/mol
LogP5.13
Rot. Bonds3

About 2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole

2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole (PubChem CID 118303617) has the molecular formula C21H18F2N2O and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole
PubChem CID118303617
Molecular FormulaC21H18F2N2O
Molecular Weight352.38 g/mol
Exact Mass352.14
IUPAC Name2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole
SMILESCc1cccc(-c2nc(-c3c(F)cccc3F)[nH]c2C2=CCOCC2)c1
InChIInChI=1S/C21H18F2N2O/c1-13-4-2-5-15(12-13)20-19(14-8-10-26-11-9-14)24-21(25-20)18-16(22)6-3-7-17(18)23/h2-8,12H,9-11H2,1H3,(H,24,25)
InChIKeyDQHWPNGYYKSNRQ-UHFFFAOYSA-N
XLogP5.13
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.38
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole (CID 118303617) is 2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole is Cc1cccc(-c2nc(-c3c(F)cccc3F)[nH]c2C2=CCOCC2)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole?
The InChIKey is DQHWPNGYYKSNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O/c1-13-4-2-5-15(12-13)20-19(14-8-10-26-11-9-14)24-21(25-20)18-16(22)6-3-7-17(18)23/h2-8,12H,9-11H2,1H3,(H,24,25).
What are the key properties of 2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole?
2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole has a molecular weight of 352.38 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-(3,6-dihydro-2H-pyran-4-yl)-4-(3-methylphenyl)-1H-imidazole is sourced from PubChem (CID 118303617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).