N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane

C16H23N3O — CID 144709422

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
SMILESCC.CC(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C14H17N3O.C2H6/c1-12(18)15-8-7-14-16-9-10-17(14)11-13-5-3-2-4-6-13;1-2/h2-6,9-10H,7-8,11H2,1H3,(H,15,18);1-2H3
InChIKeyYWUJIMLQSLYPQD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.64
Rot. Bonds5

About N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane

N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane (PubChem CID 144709422) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
PubChem CID144709422
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
SMILESCC.CC(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C14H17N3O.C2H6/c1-12(18)15-8-7-14-16-9-10-17(14)11-13-5-3-2-4-6-13;1-2/h2-6,9-10H,7-8,11H2,1H3,(H,15,18);1-2H3
InChIKeyYWUJIMLQSLYPQD-UHFFFAOYSA-N
XLogP2.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-methylphenoxy)propanamide
CID 134039599
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 134039594
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 134027428
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134027552
N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 134039843
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine
CID 111228267
N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134039836
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 134039701
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 134027611

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane (CID 144709422) is N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane is CC.CC(=O)NCCc1nccn1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane?
The InChIKey is YWUJIMLQSLYPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.C2H6/c1-12(18)15-8-7-14-16-9-10-17(14)11-13-5-3-2-4-6-13;1-2/h2-6,9-10H,7-8,11H2,1H3,(H,15,18);1-2H3.
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane?
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane has a molecular weight of 273.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane is sourced from PubChem (CID 144709422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).