3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid

C28H23N3O4 — CID 67351878

IUPAC3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)COc3ccc4ccccc4c3)cc21
InChIInChI=1S/C28H23N3O4/c32-27(17-35-23-12-10-19-6-4-5-9-21(19)14-23)30-22-11-13-24-26(15-22)31(18-29-24)25(16-28(33)34)20-7-2-1-3-8-20/h1-15,18,25H,16-17H2,(H,30,32)(H,33,34)
InChIKeyZMFTZXVYVVLRDO-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.27
Rot. Bonds8

About 3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid

3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid (PubChem CID 67351878) has the molecular formula C28H23N3O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is 3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid
PubChem CID67351878
Molecular FormulaC28H23N3O4
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC Name3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid
SMILESO=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)COc3ccc4ccccc4c3)cc21
InChIInChI=1S/C28H23N3O4/c32-27(17-35-23-12-10-19-6-4-5-9-21(19)14-23)30-22-11-13-24-26(15-22)31(18-29-24)25(16-28(33)34)20-7-2-1-3-8-20/h1-15,18,25H,16-17H2,(H,30,32)(H,33,34)
InChIKeyZMFTZXVYVVLRDO-UHFFFAOYSA-N
XLogP5.27
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[[2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxyacetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 87806001
3-[5-[[2-(4-methoxyphenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 67353897
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
3-phenyl-3-[6-(pyrazine-2-carbonylamino)benzimidazol-1-yl]propanoic acid
CID 67354395
3-[6-[[2-(3-nitrophenyl)acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 67354761
3-[6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 69388559
3-phenyl-3-[6-[(4-pyrrol-1-ylbenzoyl)amino]benzimidazol-1-yl]propanoic acid
CID 67352265
3-[6-[(4-cyanobenzoyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 67352708
3-[6-(adamantane-1-carbonylamino)benzimidazol-1-yl]-3-phenylpropanoic acid
CID 67352536
3-[6-[(3,5-dinitrobenzoyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 87366798
3-phenyl-3-[6-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzimidazol-1-yl]propanoic acid
CID 69388173
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid?
The IUPAC name of 3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid (CID 67351878) is 3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid?
The canonical SMILES for 3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid is O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)COc3ccc4ccccc4c3)cc21.
What is the InChIKey of 3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid?
The InChIKey is ZMFTZXVYVVLRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4/c32-27(17-35-23-12-10-19-6-4-5-9-21(19)14-23)30-22-11-13-24-26(15-22)31(18-29-24)25(16-28(33)34)20-7-2-1-3-8-20/h1-15,18,25H,16-17H2,(H,30,32)(H,33,34).
What are the key properties of 3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid?
3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid has a molecular weight of 465.51 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2-naphthalen-2-yloxyacetyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid is sourced from PubChem (CID 67351878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).