1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone

C21H15FN2O2 — CID 158696276

IUPAC1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc2nc(-c3ccc(-c4ccccc4)c(F)c3)[nH]c2c1
InChIInChI=1S/C21H15FN2O2/c22-17-10-15(6-8-16(17)13-4-2-1-3-5-13)21-23-18-9-7-14(20(26)12-25)11-19(18)24-21/h1-11,25H,12H2,(H,23,24)
InChIKeyIGZHKCFDTJBCKU-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.21
Rot. Bonds4

About 1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone

1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone (PubChem CID 158696276) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
PubChem CID158696276
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc2nc(-c3ccc(-c4ccccc4)c(F)c3)[nH]c2c1
InChIInChI=1S/C21H15FN2O2/c22-17-10-15(6-8-16(17)13-4-2-1-3-5-13)21-23-18-9-7-14(20(26)12-25)11-19(18)24-21/h1-11,25H,12H2,(H,23,24)
InChIKeyIGZHKCFDTJBCKU-UHFFFAOYSA-N
XLogP4.21
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[2-[2-fluoro-4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158420839
1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 157232904
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158401557
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 81288878
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
1-[2-[5-(3-chlorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 153264729

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone?
The IUPAC name of 1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone (CID 158696276) is 1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone is O=C(CO)c1ccc2nc(-c3ccc(-c4ccccc4)c(F)c3)[nH]c2c1.
What is the InChIKey of 1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone?
The InChIKey is IGZHKCFDTJBCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-17-10-15(6-8-16(17)13-4-2-1-3-5-13)21-23-18-9-7-14(20(26)12-25)11-19(18)24-21/h1-11,25H,12H2,(H,23,24).
What are the key properties of 1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone?
1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone has a molecular weight of 346.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone is sourced from PubChem (CID 158696276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).