2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol

C21H16FN3OS — CID 11810939

IUPAC2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol
SMILESOc1ccccc1CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C21H16FN3OS/c22-17-7-5-14(6-8-17)19-20(15-9-11-23-12-10-15)25-21(24-19)27-13-16-3-1-2-4-18(16)26/h1-12,26H,13H2,(H,24,25)
InChIKeyRWTUMDWAMVSAHZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.28
Rot. Bonds5

About 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol

2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol (PubChem CID 11810939) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol
PubChem CID11810939
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC Name2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol
SMILESOc1ccccc1CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C21H16FN3OS/c22-17-7-5-14(6-8-17)19-20(15-9-11-23-12-10-15)25-21(24-19)27-13-16-3-1-2-4-18(16)26/h1-12,26H,13H2,(H,24,25)
InChIKeyRWTUMDWAMVSAHZ-UHFFFAOYSA-N
XLogP5.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol?
The IUPAC name of 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol (CID 11810939) is 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol is Oc1ccccc1CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol?
The InChIKey is RWTUMDWAMVSAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c22-17-7-5-14(6-8-17)19-20(15-9-11-23-12-10-15)25-21(24-19)27-13-16-3-1-2-4-18(16)26/h1-12,26H,13H2,(H,24,25).
What are the key properties of 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol?
2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol has a molecular weight of 377.44 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanylmethyl]phenol is sourced from PubChem (CID 11810939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).