2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid

C24H22N2O3 — CID 57211067

IUPAC2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid
SMILESO=C(O)c1ccccc1COCc1cccc2[nH]c(CCc3ccccc3)nc12
InChIInChI=1S/C24H22N2O3/c27-24(28)20-11-5-4-9-18(20)15-29-16-19-10-6-12-21-23(19)26-22(25-21)14-13-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,25,26)(H,27,28)
InChIKeyNGXNVFUCUVTMGL-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.76
Rot. Bonds8

About 2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid

2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid (PubChem CID 57211067) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid
PubChem CID57211067
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid
SMILESO=C(O)c1ccccc1COCc1cccc2[nH]c(CCc3ccccc3)nc12
InChIInChI=1S/C24H22N2O3/c27-24(28)20-11-5-4-9-18(20)15-29-16-19-10-6-12-21-23(19)26-22(25-21)14-13-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,25,26)(H,27,28)
InChIKeyNGXNVFUCUVTMGL-UHFFFAOYSA-N
XLogP4.76
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-phenylethyl)-1H-benzimidazole-4-carboxylate
CID 115357526
3-amino-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]propanoic acid
CID 139809523
2-(hydroxymethyl)-1H-benzimidazole-4-carboxylic acid
CID 19759729
ethyl 2-hydroxy-2-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]acetate
CID 22464951
ethyl (E)-3-[2-(2-phenylethyl)-1H-benzimidazol-4-yl]prop-2-enoate
CID 22464991
2-(3-methoxybutyl)-1H-benzimidazole-4-carboxylic acid
CID 113382181
2-benzyl-1H-benzimidazole-4-carboxamide
CID 154521483
2-benzyl-1H-benzimidazole-4-carbonyl chloride
CID 54137883
methyl 2-[[5,6-dimethyl-2-(2-phenylethyl)-1H-benzimidazol-4-yl]methyl]benzoate
CID 139890855
2-[(4-fluorophenyl)methyl]-1H-benzimidazole-4-carboxylic acid
CID 63032815
2-(2-phenylethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938337
2-[2-(3H-imidazo[4,5-c]pyridin-2-yl)ethyl]benzoic acid
CID 117166789

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid?
The IUPAC name of 2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid (CID 57211067) is 2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid.
What is the SMILES notation for 2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid?
The canonical SMILES for 2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid is O=C(O)c1ccccc1COCc1cccc2[nH]c(CCc3ccccc3)nc12.
What is the InChIKey of 2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid?
The InChIKey is NGXNVFUCUVTMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-24(28)20-11-5-4-9-18(20)15-29-16-19-10-6-12-21-23(19)26-22(25-21)14-13-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,25,26)(H,27,28).
What are the key properties of 2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid?
2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid has a molecular weight of 386.45 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-phenylethyl)-1H-benzimidazol-4-yl]methoxymethyl]benzoic acid is sourced from PubChem (CID 57211067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).