3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid

C18H15FN2O3 — CID 82142189

IUPAC3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid
SMILESCC(=O)c1ccc2c(c1)nc(-c1ccccc1F)n2CCC(=O)O
InChIInChI=1S/C18H15FN2O3/c1-11(22)12-6-7-16-15(10-12)20-18(21(16)9-8-17(23)24)13-4-2-3-5-14(13)19/h2-7,10H,8-9H2,1H3,(H,23,24)
InChIKeyTWJVSAUCLOXODX-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.52
Rot. Bonds5

About 3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid

3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid (PubChem CID 82142189) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid
PubChem CID82142189
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid
SMILESCC(=O)c1ccc2c(c1)nc(-c1ccccc1F)n2CCC(=O)O
InChIInChI=1S/C18H15FN2O3/c1-11(22)12-6-7-16-15(10-12)20-18(21(16)9-8-17(23)24)13-4-2-3-5-14(13)19/h2-7,10H,8-9H2,1H3,(H,23,24)
InChIKeyTWJVSAUCLOXODX-UHFFFAOYSA-N
XLogP3.52
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propanoic acid
CID 82146187
1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone
CID 71512806
2-(2-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040443
3-[2-(2-fluorophenyl)benzimidazol-1-yl]propanethioamide
CID 82149821
3-[2-(4-methylthiophen-3-yl)benzimidazol-1-yl]propanoic acid
CID 79808197
2-[2-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061424
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230
3-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]propanoic acid
CID 94748004
1-cyclohexyl-2-(2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 153153541
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
1-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299124
3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid
CID 66126700

Frequently Asked Questions

What is the IUPAC name of 3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid (CID 82142189) is 3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid is CC(=O)c1ccc2c(c1)nc(-c1ccccc1F)n2CCC(=O)O.
What is the InChIKey of 3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid?
The InChIKey is TWJVSAUCLOXODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11(22)12-6-7-16-15(10-12)20-18(21(16)9-8-17(23)24)13-4-2-3-5-14(13)19/h2-7,10H,8-9H2,1H3,(H,23,24).
What are the key properties of 3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid?
3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid has a molecular weight of 326.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 82142189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).