N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide

C14H18N4O — CID 12847939

IUPACN-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide
SMILESCN(C)CC(=O)N(Cc1ccccc1)c1ncc[nH]1
InChIInChI=1S/C14H18N4O/c1-17(2)11-13(19)18(14-15-8-9-16-14)10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,15,16)
InChIKeyXBRRWNKXQNUFRS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.50
Rot. Bonds5

About N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide

N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide (PubChem CID 12847939) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide
PubChem CID12847939
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide
SMILESCN(C)CC(=O)N(Cc1ccccc1)c1ncc[nH]1
InChIInChI=1S/C14H18N4O/c1-17(2)11-13(19)18(14-15-8-9-16-14)10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,15,16)
InChIKeyXBRRWNKXQNUFRS-UHFFFAOYSA-N
XLogP1.50
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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phenyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide (CID 12847939) is N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide is CN(C)CC(=O)N(Cc1ccccc1)c1ncc[nH]1.
What is the InChIKey of N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide?
The InChIKey is XBRRWNKXQNUFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)11-13(19)18(14-15-8-9-16-14)10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide?
N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(dimethylamino)-N-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 12847939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).