N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide

C20H21N3O3 — CID 31549916

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O3/c1-2-19-22-15-5-3-4-6-16(15)23(19)12-20(24)21-10-9-14-7-8-17-18(11-14)26-13-25-17/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,24)
InChIKeyAJYNVAQTRMOIGD-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.69
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide (PubChem CID 31549916) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
PubChem CID31549916
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O3/c1-2-19-22-15-5-3-4-6-16(15)23(19)12-20(24)21-10-9-14-7-8-17-18(11-14)26-13-25-17/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,24)
InChIKeyAJYNVAQTRMOIGD-UHFFFAOYSA-N
XLogP2.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide (CID 31549916) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide is CCc1nc2ccccc2n1CC(=O)NCCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
The InChIKey is AJYNVAQTRMOIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-19-22-15-5-3-4-6-16(15)23(19)12-20(24)21-10-9-14-7-8-17-18(11-14)26-13-25-17/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,24).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 31549916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).