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

C19H21N3O2 — CID 46328498

IUPACN-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccccc1CCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O2/c1-2-24-13-19(23)22-15-8-4-3-7-14(15)11-12-18-20-16-9-5-6-10-17(16)21-18/h3-10H,2,11-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyCXLQXYOSBFDFTC-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.32
Rot. Bonds7

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

N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide (PubChem CID 46328498) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide
PubChem CID46328498
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccccc1CCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O2/c1-2-24-13-19(23)22-15-8-4-3-7-14(15)11-12-18-20-16-9-5-6-10-17(16)21-18/h3-10H,2,11-13H2,1H3,(H,20,21)(H,22,23)
InChIKeyCXLQXYOSBFDFTC-UHFFFAOYSA-N
XLogP3.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide
CID 56791675
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 46379403
N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
CID 60763631
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
2-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 173161796
ethyl N-[3-(1H-benzimidazol-2-yl)propanoylamino]carbamate
CID 43042112
tert-butyl N-[2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]phenyl]carbamate
CID 146022175
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 37218639
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86991053

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide (CID 46328498) is N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide is CCOCC(=O)Nc1ccccc1CCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide?
The InChIKey is CXLQXYOSBFDFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-24-13-19(23)22-15-8-4-3-7-14(15)11-12-18-20-16-9-5-6-10-17(16)21-18/h3-10H,2,11-13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide?
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide has a molecular weight of 323.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide is sourced from PubChem (CID 46328498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).