2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol

C25H18F6N2O — CID 59251435

IUPAC2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(F)c(F)c3F)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C25H18F6N2O/c1-24(2,34)20-13-33(23(32-20)17-5-3-4-6-18(17)25(29,30)31)15-9-7-14(8-10-15)16-11-12-19(26)22(28)21(16)27/h3-13,34H,1-2H3
InChIKeyCSFQQWOYVKOBAQ-UHFFFAOYSA-N
MW476.42 g/mol
LogP6.87
Rot. Bonds4

About 2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol

2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251435) has the molecular formula C25H18F6N2O and a molecular weight of 476.42 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251435
Molecular FormulaC25H18F6N2O
Molecular Weight476.42 g/mol
Exact Mass476.13
IUPAC Name2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccc(F)c(F)c3F)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C25H18F6N2O/c1-24(2,34)20-13-33(23(32-20)17-5-3-4-6-18(17)25(29,30)31)15-9-7-14(8-10-15)16-11-12-19(26)22(28)21(16)27/h3-13,34H,1-2H3
InChIKeyCSFQQWOYVKOBAQ-UHFFFAOYSA-N
XLogP6.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251435) is 2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3ccc(F)c(F)c3F)cc2)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is CSFQQWOYVKOBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6N2O/c1-24(2,34)20-13-33(23(32-20)17-5-3-4-6-18(17)25(29,30)31)15-9-7-14(8-10-15)16-11-12-19(26)22(28)21(16)27/h3-13,34H,1-2H3.
What are the key properties of 2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 476.42 g/mol, XLogP of 6.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(trifluoromethyl)phenyl]-1-[4-(2,3,4-trifluorophenyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).