(2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone

C24H17F3N2O3 — CID 67429654

IUPAC(2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone
SMILESCOc1ccccc1C(=O)c1cn(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cn1
InChIInChI=1S/C24H17F3N2O3/c1-31-21-11-4-3-10-19(21)23(30)20-14-29(15-28-20)17-8-6-7-16(13-17)18-9-2-5-12-22(18)32-24(25,26)27/h2-15H,1H3
InChIKeySIGMNVCIIPOVPO-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.68
Rot. Bonds6

About (2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone

(2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone (PubChem CID 67429654) has the molecular formula C24H17F3N2O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is (2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone
PubChem CID67429654
Molecular FormulaC24H17F3N2O3
Molecular Weight438.41 g/mol
Exact Mass438.12
IUPAC Name(2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone
SMILESCOc1ccccc1C(=O)c1cn(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cn1
InChIInChI=1S/C24H17F3N2O3/c1-31-21-11-4-3-10-19(21)23(30)20-14-29(15-28-20)17-8-6-7-16(13-17)18-9-2-5-12-22(18)32-24(25,26)27/h2-15H,1H3
InChIKeySIGMNVCIIPOVPO-UHFFFAOYSA-N
XLogP5.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone (CID 67429654) is (2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone is COc1ccccc1C(=O)c1cn(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cn1.
What is the InChIKey of (2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone?
The InChIKey is SIGMNVCIIPOVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3/c1-31-21-11-4-3-10-19(21)23(30)20-14-29(15-28-20)17-8-6-7-16(13-17)18-9-2-5-12-22(18)32-24(25,26)27/h2-15H,1H3.
What are the key properties of (2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone?
(2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone has a molecular weight of 438.41 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone is sourced from PubChem (CID 67429654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).