4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol

C19H13FN2OS — CID 137282865

IUPAC4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccsc3)c(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C19H13FN2OS/c20-15-5-1-12(2-6-15)17-18(14-9-10-24-11-14)22-19(21-17)13-3-7-16(23)8-4-13/h1-11,23H,(H,21,22)
InChIKeyLKLRPKHUVMAADY-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.32
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol

4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol (PubChem CID 137282865) has the molecular formula C19H13FN2OS and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol
PubChem CID137282865
Molecular FormulaC19H13FN2OS
Molecular Weight336.39 g/mol
Exact Mass336.07
IUPAC Name4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccsc3)c(-c3ccc(F)cc3)[nH]2)cc1
InChIInChI=1S/C19H13FN2OS/c20-15-5-1-12(2-6-15)17-18(14-9-10-24-11-14)22-19(21-17)13-3-7-16(23)8-4-13/h1-11,23H,(H,21,22)
InChIKeyLKLRPKHUVMAADY-UHFFFAOYSA-N
XLogP5.32
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
CID 68616974
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane
CID 142013542
4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
CID 155666200
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol
CID 135755905
4-[4-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]pyridine
CID 10066912
4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N'-hydroxybenzenecarboximidamide
CID 135972423
4-thiophen-3-ylphenol
CID 4130342
4-(4-fluorophenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 102333222
4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine
CID 4712
2-[5-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-2-yl]phenol
CID 887020
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol?
The IUPAC name of 4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol (CID 137282865) is 4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol?
The canonical SMILES for 4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol is Oc1ccc(-c2nc(-c3ccsc3)c(-c3ccc(F)cc3)[nH]2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol?
The InChIKey is LKLRPKHUVMAADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2OS/c20-15-5-1-12(2-6-15)17-18(14-9-10-24-11-14)22-19(21-17)13-3-7-16(23)8-4-13/h1-11,23H,(H,21,22).
What are the key properties of 4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol?
4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol has a molecular weight of 336.39 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-4-thiophen-3-yl-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 137282865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).