1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole

C23H25F3N2O3 — CID 90114849

IUPAC1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole
SMILESCCCCn1cnc(-c2ccc(C(F)(F)F)cc2)c1-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H25F3N2O3/c1-5-6-11-28-14-27-20(15-7-9-17(10-8-15)23(24,25)26)21(28)16-12-18(29-2)22(31-4)19(13-16)30-3/h7-10,12-14H,5-6,11H2,1-4H3
InChIKeyZTXIAHUTDVVDHZ-UHFFFAOYSA-N
MW434.46 g/mol
LogP6.06
Rot. Bonds8

About 1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole

1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole (PubChem CID 90114849) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole.

Molecular Properties

Compound Name1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole
PubChem CID90114849
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole
SMILESCCCCn1cnc(-c2ccc(C(F)(F)F)cc2)c1-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H25F3N2O3/c1-5-6-11-28-14-27-20(15-7-9-17(10-8-15)23(24,25)26)21(28)16-12-18(29-2)22(31-4)19(13-16)30-3/h7-10,12-14H,5-6,11H2,1-4H3
InChIKeyZTXIAHUTDVVDHZ-UHFFFAOYSA-N
XLogP6.06
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole?
The IUPAC name of 1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole (CID 90114849) is 1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole.
What is the SMILES notation for 1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole?
The canonical SMILES for 1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole is CCCCn1cnc(-c2ccc(C(F)(F)F)cc2)c1-c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole?
The InChIKey is ZTXIAHUTDVVDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-5-6-11-28-14-27-20(15-7-9-17(10-8-15)23(24,25)26)21(28)16-12-18(29-2)22(31-4)19(13-16)30-3/h7-10,12-14H,5-6,11H2,1-4H3.
What are the key properties of 1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole?
1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole has a molecular weight of 434.46 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)imidazole is sourced from PubChem (CID 90114849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).