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

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Related Compounds

N-[(4-cyanophenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 39860769
N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide
CID 30936012
4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide
CID 112595697
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-methylacetamide
CID 17399179
2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide
CID 113180655
N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064379
N-benzyl-N-(5-chloro-2-cyanophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 86890740
1-(2-phenyl-3-sulfanylpropyl)imidazole-4,5-dicarbonitrile
CID 112595930
N-benzyl-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 3242457
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666

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).