2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid

C18H15FN2O3 — CID 82142196

IUPAC2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid
SMILESCC(=O)c1ccc2c(c1)nc(Cc1ccc(F)cc1)n2CC(=O)O
InChIInChI=1S/C18H15FN2O3/c1-11(22)13-4-7-16-15(9-13)20-17(21(16)10-18(23)24)8-12-2-5-14(19)6-3-12/h2-7,9H,8,10H2,1H3,(H,23,24)
InChIKeyRZAWMWWTUXHLEM-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.05
Rot. Bonds5

About 2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid

2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid (PubChem CID 82142196) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid
PubChem CID82142196
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid
SMILESCC(=O)c1ccc2c(c1)nc(Cc1ccc(F)cc1)n2CC(=O)O
InChIInChI=1S/C18H15FN2O3/c1-11(22)13-4-7-16-15(9-13)20-17(21(16)10-18(23)24)8-12-2-5-14(19)6-3-12/h2-7,9H,8,10H2,1H3,(H,23,24)
InChIKeyRZAWMWWTUXHLEM-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[5-chloro-1-[2-(diethylamino)ethyl]benzimidazol-2-yl]methyl]phenyl]ethanone
CID 159419919
2-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 10644374
2-[2-[[butyl(methyl)amino]methyl]-5-fluorobenzimidazol-1-yl]acetic acid
CID 82310896
methyl 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylate
CID 67276827
2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
CID 84786090
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
1-(2-acetyl-1-ethylbenzimidazol-5-yl)ethanone
CID 21025939
1-[(4-fluorophenyl)methyl]-2-[2-(propanoylamino)ethyl]benzimidazole-5-carboxylic acid
CID 24717827
2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]acetic acid
CID 62804398
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014
3-[5-acetyl-2-(2-fluorophenyl)benzimidazol-1-yl]propanoic acid
CID 82142189
1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone
CID 71512806

Frequently Asked Questions

What is the IUPAC name of 2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid (CID 82142196) is 2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid is CC(=O)c1ccc2c(c1)nc(Cc1ccc(F)cc1)n2CC(=O)O.
What is the InChIKey of 2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid?
The InChIKey is RZAWMWWTUXHLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11(22)13-4-7-16-15(9-13)20-17(21(16)10-18(23)24)8-12-2-5-14(19)6-3-12/h2-7,9H,8,10H2,1H3,(H,23,24).
What are the key properties of 2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid?
2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid has a molecular weight of 326.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-acetyl-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 82142196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).