[3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol

C17H15F3N2OS2 — CID 42795353

IUPAC[3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2ccc(C(F)(F)F)cc2)n1Cc1cccs1
InChIInChI=1S/C17H15F3N2OS2/c18-17(19,20)13-5-3-12(4-6-13)11-25-16-21-8-14(10-23)22(16)9-15-2-1-7-24-15/h1-8,23H,9-11H2
InChIKeyRGHGYNBIYLZSFF-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.80
Rot. Bonds6

About [3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol

[3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol (PubChem CID 42795353) has the molecular formula C17H15F3N2OS2 and a molecular weight of 384.45 g/mol. Its IUPAC name is [3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
PubChem CID42795353
Molecular FormulaC17H15F3N2OS2
Molecular Weight384.45 g/mol
Exact Mass384.06
IUPAC Name[3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol
SMILESOCc1cnc(SCc2ccc(C(F)(F)F)cc2)n1Cc1cccs1
InChIInChI=1S/C17H15F3N2OS2/c18-17(19,20)13-5-3-12(4-6-13)11-25-16-21-8-14(10-23)22(16)9-15-2-1-7-24-15/h1-8,23H,9-11H2
InChIKeyRGHGYNBIYLZSFF-UHFFFAOYSA-N
XLogP4.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol?
The IUPAC name of [3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol (CID 42795353) is [3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol is OCc1cnc(SCc2ccc(C(F)(F)F)cc2)n1Cc1cccs1.
What is the InChIKey of [3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol?
The InChIKey is RGHGYNBIYLZSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2OS2/c18-17(19,20)13-5-3-12(4-6-13)11-25-16-21-8-14(10-23)22(16)9-15-2-1-7-24-15/h1-8,23H,9-11H2.
What are the key properties of [3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol?
[3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol has a molecular weight of 384.45 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazol-4-yl]methanol is sourced from PubChem (CID 42795353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).