[5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

C18H9F3N2O2S — CID 122652897

IUPAC[5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2ccc3nc[nH]c3c2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C18H9F3N2O2S/c19-10-6-9(15(20)18(25)16(10)21)17(24)14-4-3-13(26-14)8-1-2-11-12(5-8)23-7-22-11/h1-7,25H,(H,22,23)
InChIKeyPPTPKIIVWBVPJA-UHFFFAOYSA-N
MW374.34 g/mol
LogP4.65
Rot. Bonds3

About [5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

[5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 122652897) has the molecular formula C18H9F3N2O2S and a molecular weight of 374.34 g/mol. Its IUPAC name is [5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID122652897
Molecular FormulaC18H9F3N2O2S
Molecular Weight374.34 g/mol
Exact Mass374.03
IUPAC Name[5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1ccc(-c2ccc3nc[nH]c3c2)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C18H9F3N2O2S/c19-10-6-9(15(20)18(25)16(10)21)17(24)14-4-3-13(26-14)8-1-2-11-12(5-8)23-7-22-11/h1-7,25H,(H,22,23)
InChIKeyPPTPKIIVWBVPJA-UHFFFAOYSA-N
XLogP4.65
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of [5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 122652897) is [5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for [5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is O=C(c1ccc(-c2ccc3nc[nH]c3c2)s1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of [5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is PPTPKIIVWBVPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F3N2O2S/c19-10-6-9(15(20)18(25)16(10)21)17(24)14-4-3-13(26-14)8-1-2-11-12(5-8)23-7-22-11/h1-7,25H,(H,22,23).
What are the key properties of [5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
[5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 374.34 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3H-benzimidazol-5-yl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 122652897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).