phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone

C18H9F3N2OS — CID 127035995

IUPACphenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone
SMILESO=C(c1ccccc1)c1cc2c(F)c(F)c(-n3ccnc3)c(F)c2s1
InChIInChI=1S/C18H9F3N2OS/c19-13-11-8-12(17(24)10-4-2-1-3-5-10)25-18(11)15(21)16(14(13)20)23-7-6-22-9-23/h1-9H
InChIKeyFKLZUEVDIKNTCS-UHFFFAOYSA-N
MW358.34 g/mol
LogP4.74
Rot. Bonds3

About phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone

phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone (PubChem CID 127035995) has the molecular formula C18H9F3N2OS and a molecular weight of 358.34 g/mol. Its IUPAC name is phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Namephenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone
PubChem CID127035995
Molecular FormulaC18H9F3N2OS
Molecular Weight358.34 g/mol
Exact Mass358.04
IUPAC Namephenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone
SMILESO=C(c1ccccc1)c1cc2c(F)c(F)c(-n3ccnc3)c(F)c2s1
InChIInChI=1S/C18H9F3N2OS/c19-13-11-8-12(17(24)10-4-2-1-3-5-10)25-18(11)15(21)16(14(13)20)23-7-6-22-9-23/h1-9H
InChIKeyFKLZUEVDIKNTCS-UHFFFAOYSA-N
XLogP4.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-Fluoro-1-benzothiophen-2-yl)-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 53624176
[6-(Benzimidazol-1-yl)-4,5,7-trifluoro-1-benzothiophen-2-yl]-phenylmethanone
CID 127035996
(E)-1-(4-imidazol-1-ylphenyl)-3-(5-nitrothiophen-2-yl)prop-2-en-1-one
CID 137655819
(E)-3-(5-chlorothiophen-2-yl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 137661227
1-(1-Benzothiophen-2-yl)-2-imidazol-1-ylethanone
CID 13662735
Methyl 4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophene-2-carboxylate
CID 127036657
1-[5-(6-Fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone
CID 162403092
1-(4-Imidazol-1-ylphenyl)-3-(5-nitro-2-thienyl)propan-1-one
CID 134815851
3-(5-Chloro-2-thienyl)-1-(4-imidazol-1-ylphenyl)propan-1-one
CID 134816195
2-[1-(4-Fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone
CID 4290084
1-(5-Fluoro-3-methyl-1-benzothiophen-2-yl)-3-imidazol-1-ylpropan-1-one
CID 18466980
1-(5-Fluoro-3-methyl-1-benzothiophen-2-yl)-3-(1-tritylimidazol-4-yl)propan-1-one
CID 18467025

Frequently Asked Questions

What is the IUPAC name of phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone?
The IUPAC name of phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone (CID 127035995) is phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone?
The canonical SMILES for phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone is O=C(c1ccccc1)c1cc2c(F)c(F)c(-n3ccnc3)c(F)c2s1.
What is the InChIKey of phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone?
The InChIKey is FKLZUEVDIKNTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F3N2OS/c19-13-11-8-12(17(24)10-4-2-1-3-5-10)25-18(11)15(21)16(14(13)20)23-7-6-22-9-23/h1-9H.
What are the key properties of phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone?
phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone has a molecular weight of 358.34 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4,5,7-trifluoro-6-imidazol-1-yl-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 127035995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).