2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid

C24H21FN2O3 — CID 142209544

IUPAC2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid
SMILESCCOc1cc(Cc2nc3ccccc3n2Cc2ccc(F)cc2)ccc1C(=O)O
InChIInChI=1S/C24H21FN2O3/c1-2-30-22-13-17(9-12-19(22)24(28)29)14-23-26-20-5-3-4-6-21(20)27(23)15-16-7-10-18(25)11-8-16/h3-13H,2,14-15H2,1H3,(H,28,29)
InChIKeyGLBLDKRGVQNQDV-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.91
Rot. Bonds7

About 2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid

2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid (PubChem CID 142209544) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid.

Molecular Properties

Compound Name2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid
PubChem CID142209544
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid
SMILESCCOc1cc(Cc2nc3ccccc3n2Cc2ccc(F)cc2)ccc1C(=O)O
InChIInChI=1S/C24H21FN2O3/c1-2-30-22-13-17(9-12-19(22)24(28)29)14-23-26-20-5-3-4-6-21(20)27(23)15-16-7-10-18(25)11-8-16/h3-13H,2,14-15H2,1H3,(H,28,29)
InChIKeyGLBLDKRGVQNQDV-UHFFFAOYSA-N
XLogP4.91
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-[[1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzoic acid
CID 142209511
2-ethoxy-4-[[1-(2-methylbut-3-enyl)benzimidazol-2-yl]methyl]benzoic acid
CID 142209527
2-ethoxy-4-[[1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221242
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
ethyl 2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]acetate
CID 14013012
N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3,4,5-trimethoxybenzamide
CID 16991086
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 976977
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006380
2-ethoxy-4-[[1-[[7-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]methyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221181
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983959
1-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperazin-1-yl]-2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethanone
CID 139721534
2-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 10644374

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid?
The IUPAC name of 2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid (CID 142209544) is 2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid.
What is the SMILES notation for 2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid?
The canonical SMILES for 2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid is CCOc1cc(Cc2nc3ccccc3n2Cc2ccc(F)cc2)ccc1C(=O)O.
What is the InChIKey of 2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid?
The InChIKey is GLBLDKRGVQNQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-2-30-22-13-17(9-12-19(22)24(28)29)14-23-26-20-5-3-4-6-21(20)27(23)15-16-7-10-18(25)11-8-16/h3-13H,2,14-15H2,1H3,(H,28,29).
What are the key properties of 2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid?
2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid has a molecular weight of 404.44 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzoic acid is sourced from PubChem (CID 142209544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).