3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid

C25H23N3O4 — CID 67353897

IUPAC3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O4/c1-32-20-10-7-17(8-11-20)13-24(29)27-19-9-12-22-21(14-19)26-16-28(22)23(15-25(30)31)18-5-3-2-4-6-18/h2-12,14,16,23H,13,15H2,1H3,(H,27,29)(H,30,31)
InChIKeyJIUXMYWZPJMTBV-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.29
Rot. Bonds8

About 3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid

3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid (PubChem CID 67353897) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid
PubChem CID67353897
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)cc1
InChIInChI=1S/C25H23N3O4/c1-32-20-10-7-17(8-11-20)13-24(29)27-19-9-12-22-21(14-19)26-16-28(22)23(15-25(30)31)18-5-3-2-4-6-18/h2-12,14,16,23H,13,15H2,1H3,(H,27,29)(H,30,31)
InChIKeyJIUXMYWZPJMTBV-UHFFFAOYSA-N
XLogP4.29
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(benzylcarbamoylamino)benzimidazol-1-yl]-3-phenylpropanoic acid
CID 11604030
3-[5-[(2-methylbenzoyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 67353581
3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 67351878
3-[5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 91102710
3-[6-[[2-(3-nitrophenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 67354761
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
CID 46328909
2-(4-methoxyphenyl)-N-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110779308
3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 11532253
3-[6-(adamantane-1-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid
CID 67352536
3-(5-aminobenzimidazol-1-yl)-3-naphthalen-2-ylpropanoic acid
CID 11681496
N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide
CID 110772965
methyl 3-[5-(benzenesulfonamido)benzimidazol-1-yl]-3-(4-phenylphenyl)propanoate
CID 58653660

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid?
The IUPAC name of 3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid (CID 67353897) is 3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid?
The canonical SMILES for 3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid is COc1ccc(CC(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)cc1.
What is the InChIKey of 3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid?
The InChIKey is JIUXMYWZPJMTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-32-20-10-7-17(8-11-20)13-24(29)27-19-9-12-22-21(14-19)26-16-28(22)23(15-25(30)31)18-5-3-2-4-6-18/h2-12,14,16,23H,13,15H2,1H3,(H,27,29)(H,30,31).
What are the key properties of 3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid?
3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid has a molecular weight of 429.48 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid is sourced from PubChem (CID 67353897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).