[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C20H17F3N2O4 — CID 71625643

IUPAC[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ncc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C20H17F3N2O4/c1-27-15-8-12(9-16(28-2)18(15)29-3)17(26)19-24-10-14(25-19)11-4-6-13(7-5-11)20(21,22)23/h4-10H,1-3H3,(H,24,25)
InChIKeyLVNLQAYTRDUBEW-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.35
Rot. Bonds6

About [5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71625643) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is [5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71625643
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC Name[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ncc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C20H17F3N2O4/c1-27-15-8-12(9-16(28-2)18(15)29-3)17(26)19-24-10-14(25-19)11-4-6-13(7-5-11)20(21,22)23/h4-10H,1-3H3,(H,24,25)
InChIKeyLVNLQAYTRDUBEW-UHFFFAOYSA-N
XLogP4.35
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 71625643) is [5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ncc(-c3ccc(C(F)(F)F)cc3)[nH]2)cc(OC)c1OC.
What is the InChIKey of [5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is LVNLQAYTRDUBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c1-27-15-8-12(9-16(28-2)18(15)29-3)17(26)19-24-10-14(25-19)11-4-6-13(7-5-11)20(21,22)23/h4-10H,1-3H3,(H,24,25).
What are the key properties of [5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 406.36 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71625643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).