2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

C24H21F3N2O2S — CID 59251625

IUPAC2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3csc(CO)c3)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C24H21F3N2O2S/c1-23(2,31)21-12-29(22(28-21)19-5-3-4-6-20(19)24(25,26)27)17-9-7-15(8-10-17)16-11-18(13-30)32-14-16/h3-12,14,30-31H,13H2,1-2H3
InChIKeyVJOAUXQUANKDPN-UHFFFAOYSA-N
MW458.51 g/mol
LogP6.01
Rot. Bonds5

About 2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol

2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (PubChem CID 59251625) has the molecular formula C24H21F3N2O2S and a molecular weight of 458.51 g/mol. Its IUPAC name is 2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
PubChem CID59251625
Molecular FormulaC24H21F3N2O2S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC Name2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3csc(CO)c3)cc2)c(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C24H21F3N2O2S/c1-23(2,31)21-12-29(22(28-21)19-5-3-4-6-20(19)24(25,26)27)17-9-7-15(8-10-17)16-11-18(13-30)32-14-16/h3-12,14,30-31H,13H2,1-2H3
InChIKeyVJOAUXQUANKDPN-UHFFFAOYSA-N
XLogP6.01
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol (CID 59251625) is 2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3csc(CO)c3)cc2)c(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
The InChIKey is VJOAUXQUANKDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2S/c1-23(2,31)21-12-29(22(28-21)19-5-3-4-6-20(19)24(25,26)27)17-9-7-15(8-10-17)16-11-18(13-30)32-14-16/h3-12,14,30-31H,13H2,1-2H3.
What are the key properties of 2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol?
2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol has a molecular weight of 458.51 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[5-(hydroxymethyl)thiophen-3-yl]phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).