2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole

C24H22F6N2O2 — CID 18419663

IUPAC2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole
SMILESCC(OC1OCCC(c2ncc[nH]2)C1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H22F6N2O2/c1-14(16-11-17(23(25,26)27)13-18(12-16)24(28,29)30)34-22-20(15-5-3-2-4-6-15)19(7-10-33-22)21-31-8-9-32-21/h2-6,8-9,11-14,19-20,22H,7,10H2,1H3,(H,31,32)
InChIKeyFFTREAACPPZYFV-UHFFFAOYSA-N
MW484.44 g/mol
LogP6.84
Rot. Bonds5

About 2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole

2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole (PubChem CID 18419663) has the molecular formula C24H22F6N2O2 and a molecular weight of 484.44 g/mol. Its IUPAC name is 2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole
PubChem CID18419663
Molecular FormulaC24H22F6N2O2
Molecular Weight484.44 g/mol
Exact Mass484.16
IUPAC Name2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole
SMILESCC(OC1OCCC(c2ncc[nH]2)C1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H22F6N2O2/c1-14(16-11-17(23(25,26)27)13-18(12-16)24(28,29)30)34-22-20(15-5-3-2-4-6-15)19(7-10-33-22)21-31-8-9-32-21/h2-6,8-9,11-14,19-20,22H,7,10H2,1H3,(H,31,32)
InChIKeyFFTREAACPPZYFV-UHFFFAOYSA-N
XLogP6.84
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole?
The IUPAC name of 2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole (CID 18419663) is 2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole.
What is the SMILES notation for 2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole?
The canonical SMILES for 2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole is CC(OC1OCCC(c2ncc[nH]2)C1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole?
The InChIKey is FFTREAACPPZYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6N2O2/c1-14(16-11-17(23(25,26)27)13-18(12-16)24(28,29)30)34-22-20(15-5-3-2-4-6-15)19(7-10-33-22)21-31-8-9-32-21/h2-6,8-9,11-14,19-20,22H,7,10H2,1H3,(H,31,32).
What are the key properties of 2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole?
2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole has a molecular weight of 484.44 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyloxan-4-yl]-1H-imidazole is sourced from PubChem (CID 18419663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).