ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate

C28H29N3O3 — CID 16985981

IUPACethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C28H29N3O3/c1-2-34-28(33)20-31-25-12-7-6-11-24(25)30-26(31)13-8-18-29-27(32)19-21-14-16-23(17-15-21)22-9-4-3-5-10-22/h3-7,9-12,14-17H,2,8,13,18-20H2,1H3,(H,29,32)
InChIKeyWMQQMFZNZHIGHH-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.56
Rot. Bonds10

About ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate

ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate (PubChem CID 16985981) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate
PubChem CID16985981
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Nameethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C28H29N3O3/c1-2-34-28(33)20-31-25-12-7-6-11-24(25)30-26(31)13-8-18-29-27(32)19-21-14-16-23(17-15-21)22-9-4-3-5-10-22/h3-7,9-12,14-17H,2,8,13,18-20H2,1H3,(H,29,32)
InChIKeyWMQQMFZNZHIGHH-UHFFFAOYSA-N
XLogP4.56
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985986
N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985848
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985842
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985850
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985985
ethyl 2-[2-[3-(2-methylprop-2-enoylamino)propyl]benzimidazol-1-yl]acetate
CID 16987010
2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16985855
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305
N-[3-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985950
ethyl 2-[2-[3-[[(Z)-3-phenylprop-2-enoyl]amino]propyl]benzimidazol-1-yl]acetate
CID 16986212
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994310
ethyl 2-[2-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]propyl]benzimidazol-1-yl]acetate
CID 16986686

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate (CID 16985981) is ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate is CCOC(=O)Cn1c(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate?
The InChIKey is WMQQMFZNZHIGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-2-34-28(33)20-31-25-12-7-6-11-24(25)30-26(31)13-8-18-29-27(32)19-21-14-16-23(17-15-21)22-9-4-3-5-10-22/h3-7,9-12,14-17H,2,8,13,18-20H2,1H3,(H,29,32).
What are the key properties of ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate?
ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate has a molecular weight of 455.56 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 16985981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).