[4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol

C13H15F3N2OS — CID 169086350

IUPAC[4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol
SMILESCc1cc(CO)sc1-c1nc(C(F)(F)F)cn1C(C)C
InChIInChI=1S/C13H15F3N2OS/c1-7(2)18-5-10(13(14,15)16)17-12(18)11-8(3)4-9(6-19)20-11/h4-5,7,19H,6H2,1-3H3
InChIKeyQDNHOMLWUYZVBG-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.01
Rot. Bonds3

About [4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol

[4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol (PubChem CID 169086350) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is [4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol
PubChem CID169086350
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name[4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol
SMILESCc1cc(CO)sc1-c1nc(C(F)(F)F)cn1C(C)C
InChIInChI=1S/C13H15F3N2OS/c1-7(2)18-5-10(13(14,15)16)17-12(18)11-8(3)4-9(6-19)20-11/h4-5,7,19H,6H2,1-3H3
InChIKeyQDNHOMLWUYZVBG-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol?
The IUPAC name of [4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol (CID 169086350) is [4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol?
The canonical SMILES for [4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol is Cc1cc(CO)sc1-c1nc(C(F)(F)F)cn1C(C)C.
What is the InChIKey of [4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol?
The InChIKey is QDNHOMLWUYZVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c1-7(2)18-5-10(13(14,15)16)17-12(18)11-8(3)4-9(6-19)20-11/h4-5,7,19H,6H2,1-3H3.
What are the key properties of [4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol?
[4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol has a molecular weight of 304.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 169086350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).