1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone

C19H13FN2O2S — CID 157232904

IUPAC1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc2nc(-c3ccc(-c4ccccc4F)s3)[nH]c2c1
InChIInChI=1S/C19H13FN2O2S/c20-13-4-2-1-3-12(13)17-7-8-18(25-17)19-21-14-6-5-11(16(24)10-23)9-15(14)22-19/h1-9,23H,10H2,(H,21,22)
InChIKeyAUHOWMBVHWQIML-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.27
Rot. Bonds4

About 1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone

1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone (PubChem CID 157232904) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
PubChem CID157232904
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc2nc(-c3ccc(-c4ccccc4F)s3)[nH]c2c1
InChIInChI=1S/C19H13FN2O2S/c20-13-4-2-1-3-12(13)17-7-8-18(25-17)19-21-14-6-5-11(16(24)10-23)9-15(14)22-19/h1-9,23H,10H2,(H,21,22)
InChIKeyAUHOWMBVHWQIML-UHFFFAOYSA-N
XLogP4.27
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[5-(3-chlorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 153264729
1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158696276
1-[2-[2-fluoro-4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158420839
2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157296298
2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157105688
2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid
CID 82141996
1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158016053
1-[2-(5-chloro-2-nitrophenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 159815212
N'-benzyl-2-[5-[6-(N'-benzylcarbamimidoyl)-1H-benzimidazol-2-yl]thiophen-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 70595089
2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone
CID 162235197
2-(2-fluoro-5-methylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 46990564
6-bromo-2-[4-(2-fluorophenyl)phenyl]-1H-benzimidazole
CID 66841439

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone?
The IUPAC name of 1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone (CID 157232904) is 1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone is O=C(CO)c1ccc2nc(-c3ccc(-c4ccccc4F)s3)[nH]c2c1.
What is the InChIKey of 1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone?
The InChIKey is AUHOWMBVHWQIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c20-13-4-2-1-3-12(13)17-7-8-18(25-17)19-21-14-6-5-11(16(24)10-23)9-15(14)22-19/h1-9,23H,10H2,(H,21,22).
What are the key properties of 1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone?
1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone has a molecular weight of 352.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone is sourced from PubChem (CID 157232904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).