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

C14H17N3O — CID 42957209

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C14H17N3O/c1-12(18)15-8-7-14-16-9-10-17(14)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,15,18)
InChIKeyIEVNXFBINFHBLH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.61
Rot. Bonds5

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

N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide (PubChem CID 42957209) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]acetamide
PubChem CID42957209
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nccn1Cc1ccccc1
InChIInChI=1S/C14H17N3O/c1-12(18)15-8-7-14-16-9-10-17(14)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,15,18)
InChIKeyIEVNXFBINFHBLH-UHFFFAOYSA-N
XLogP1.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide (CID 42957209) is N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide is CC(=O)NCCc1nccn1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide?
The InChIKey is IEVNXFBINFHBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-12(18)15-8-7-14-16-9-10-17(14)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3,(H,15,18).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide has a molecular weight of 243.31 g/mol, XLogP of 1.61, 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 is sourced from PubChem (CID 42957209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).