N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide

C13H17N3O2 — CID 43229187

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O2/c1-2-18-9-13(17)14-8-7-12-15-10-5-3-4-6-11(10)16-12/h3-6H,2,7-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyGTPRIAMFNRDULX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.26
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide (PubChem CID 43229187) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
PubChem CID43229187
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O2/c1-2-18-9-13(17)14-8-7-12-15-10-5-3-4-6-11(10)16-12/h3-6H,2,7-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyGTPRIAMFNRDULX-UHFFFAOYSA-N
XLogP1.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86991053
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide
CID 46328498
ethyl 2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoacetate
CID 110461546
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 37218639
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyethylsulfanyl)acetamide
CID 39489394
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide (CID 43229187) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide is CCOCC(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide?
The InChIKey is GTPRIAMFNRDULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-18-9-13(17)14-8-7-12-15-10-5-3-4-6-11(10)16-12/h3-6H,2,7-9H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide has a molecular weight of 247.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide is sourced from PubChem (CID 43229187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).