6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one

C16H10FN3OS — CID 172772023

IUPAC6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(-n3ccnc3-c3ccc(F)cc3)cc2s1
InChIInChI=1S/C16H10FN3OS/c17-11-3-1-10(2-4-11)15-18-7-8-20(15)12-5-6-13-14(9-12)22-16(21)19-13/h1-9H,(H,19,21)
InChIKeyNBXKFPMRAUJYAK-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.58
Rot. Bonds2

About 6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one

6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one (PubChem CID 172772023) has the molecular formula C16H10FN3OS and a molecular weight of 311.34 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one
PubChem CID172772023
Molecular FormulaC16H10FN3OS
Molecular Weight311.34 g/mol
Exact Mass311.05
IUPAC Name6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(-n3ccnc3-c3ccc(F)cc3)cc2s1
InChIInChI=1S/C16H10FN3OS/c17-11-3-1-10(2-4-11)15-18-7-8-20(15)12-5-6-13-14(9-12)22-16(21)19-13/h1-9H,(H,19,21)
InChIKeyNBXKFPMRAUJYAK-UHFFFAOYSA-N
XLogP3.58
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-(7-methoxynaphthalen-2-yl)imidazole
CID 175883795
1-(4-fluorophenyl)-3-methylpyrazin-2-one
CID 163969360
4-[2-(4-fluorophenyl)imidazol-1-yl]pyrimidine
CID 90953470
1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine
CID 91162996
CID 58973899
CID 58973899
3-chloro-1-(4-fluorophenyl)pyrazin-2-one
CID 67221416
4-[2-(3-fluorophenyl)imidazol-1-yl]pyridine
CID 57036251
3-(4-fluorophenyl)-2-phenylpyrimidin-4-one
CID 13280767
2-oxo-3H-1,3-benzothiazole-6-sulfonyl fluoride
CID 165459367
7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138807286
7-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]-4-methyl-1H-quinolin-2-one
CID 70728101
4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride
CID 154921392

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one (CID 172772023) is 6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one is O=c1[nH]c2ccc(-n3ccnc3-c3ccc(F)cc3)cc2s1.
What is the InChIKey of 6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one?
The InChIKey is NBXKFPMRAUJYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3OS/c17-11-3-1-10(2-4-11)15-18-7-8-20(15)12-5-6-13-14(9-12)22-16(21)19-13/h1-9H,(H,19,21).
What are the key properties of 6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one?
6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one has a molecular weight of 311.34 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 172772023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).