[2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

C25H23N3O3 — CID 2476612

IUPAC[2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESO=C(Cn1cnc2ccccc21)OCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H23N3O3/c29-24(18-31-25(30)17-28-19-26-22-13-7-8-14-23(22)28)27(15-20-9-3-1-4-10-20)16-21-11-5-2-6-12-21/h1-14,19H,15-18H2
InChIKeyCUZBHFYCKHQQLX-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.81
Rot. Bonds8

About [2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

[2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (PubChem CID 2476612) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is [2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
PubChem CID2476612
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name[2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESO=C(Cn1cnc2ccccc21)OCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H23N3O3/c29-24(18-31-25(30)17-28-19-26-22-13-7-8-14-23(22)28)27(15-20-9-3-1-4-10-20)16-21-11-5-2-6-12-21/h1-14,19H,15-18H2
InChIKeyCUZBHFYCKHQQLX-UHFFFAOYSA-N
XLogP3.81
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2476273
2-(benzimidazol-1-yl)-N-benzyl-N-propan-2-ylacetamide
CID 16994989
2-(benzimidazol-1-yl)-N-benzyl-N-tert-butylacetamide
CID 78761759
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2422296
[2-(azepan-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3692305
2-(benzimidazol-1-yl)-N-benzyl-N-(oxetan-3-yl)acetamide
CID 166259805
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2395671
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 3621863
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 5031162
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2436915
N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
CID 43253838
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 5035462

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (CID 2476612) is [2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.
What is the SMILES notation for [2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The canonical SMILES for [2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is O=C(Cn1cnc2ccccc21)OCC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The InChIKey is CUZBHFYCKHQQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-24(18-31-25(30)17-28-19-26-22-13-7-8-14-23(22)28)27(15-20-9-3-1-4-10-20)16-21-11-5-2-6-12-21/h1-14,19H,15-18H2.
What are the key properties of [2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
[2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate has a molecular weight of 413.48 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzylamino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is sourced from PubChem (CID 2476612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).