2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide

C15H18N6O — CID 166281423

IUPAC2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCCN(Cc1nccn1C)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C15H18N6O/c1-3-20(10-14-16-8-9-19(14)2)15(22)11-21-13-7-5-4-6-12(13)17-18-21/h4-9H,3,10-11H2,1-2H3
InChIKeySJXYKQOXNPDZIW-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.21
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide

2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 166281423) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID166281423
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCCN(Cc1nccn1C)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C15H18N6O/c1-3-20(10-14-16-8-9-19(14)2)15(22)11-21-13-7-5-4-6-12(13)17-18-21/h4-9H,3,10-11H2,1-2H3
InChIKeySJXYKQOXNPDZIW-UHFFFAOYSA-N
XLogP1.21
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
2-[4-[2-(benzotriazol-1-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447071
2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide
CID 166186034
1-[(2-propylimidazol-1-yl)methyl]benzotriazole
CID 139199165
2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95341017
2-(benzimidazol-1-yl)-N-ethyl-N-(pyridin-2-ylmethyl)acetamide
CID 166221588
2-(benzotriazol-1-yl)-N-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 166280414
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
CID 70774243
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide
CID 154706314
2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 166227374
2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide
CID 19460563
2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 47007781

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide (CID 166281423) is 2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide is CCN(Cc1nccn1C)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is SJXYKQOXNPDZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-3-20(10-14-16-8-9-19(14)2)15(22)11-21-13-7-5-4-6-12(13)17-18-21/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide?
2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 166281423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).