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

C27H25F3N2O2 — CID 59251332

IUPAC2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCCOc1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C27H25F3N2O2/c1-4-34-21-9-7-8-19(16-21)18-12-14-20(15-13-18)32-17-24(26(2,3)33)31-25(32)22-10-5-6-11-23(22)27(28,29)30/h5-17,33H,4H2,1-3H3
InChIKeyNQKQSSAIENZZRA-UHFFFAOYSA-N
MW466.50 g/mol
LogP6.85
Rot. Bonds6

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

2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251332) has the molecular formula C27H25F3N2O2 and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251332
Molecular FormulaC27H25F3N2O2
Molecular Weight466.50 g/mol
Exact Mass466.19
IUPAC Name2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCCOc1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C27H25F3N2O2/c1-4-34-21-9-7-8-19(16-21)18-12-14-20(15-13-18)32-17-24(26(2,3)33)31-25(32)22-10-5-6-11-23(22)27(28,29)30/h5-17,33H,4H2,1-3H3
InChIKeyNQKQSSAIENZZRA-UHFFFAOYSA-N
XLogP6.85
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.50
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251332) is 2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CCOc1cccc(-c2ccc(-n3cc(C(C)(C)O)nc3-c3ccccc3C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is NQKQSSAIENZZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O2/c1-4-34-21-9-7-8-19(16-21)18-12-14-20(15-13-18)32-17-24(26(2,3)33)31-25(32)22-10-5-6-11-23(22)27(28,29)30/h5-17,33H,4H2,1-3H3.
What are the key properties of 2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 466.50 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-ethoxyphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).