N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide

C15H13N5O — CID 75508724

IUPACN-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1cnc(C#N)c1C#N
InChIInChI=1S/C15H13N5O/c1-19(9-12-5-3-2-4-6-12)15(21)10-20-11-18-13(7-16)14(20)8-17/h2-6,11H,9-10H2,1H3
InChIKeyJCAUZWXQALTKRU-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.29
Rot. Bonds4

About N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide

N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide (PubChem CID 75508724) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide
PubChem CID75508724
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1cnc(C#N)c1C#N
InChIInChI=1S/C15H13N5O/c1-19(9-12-5-3-2-4-6-12)15(21)10-20-11-18-13(7-16)14(20)8-17/h2-6,11H,9-10H2,1H3
InChIKeyJCAUZWXQALTKRU-UHFFFAOYSA-N
XLogP1.29
TPSA85.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide (CID 75508724) is N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cn1cnc(C#N)c1C#N.
What is the InChIKey of N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide?
The InChIKey is JCAUZWXQALTKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-19(9-12-5-3-2-4-6-12)15(21)10-20-11-18-13(7-16)14(20)8-17/h2-6,11H,9-10H2,1H3.
What are the key properties of N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide?
N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide has a molecular weight of 279.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 75508724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).