2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide

C14H8N6O — CID 66573212

IUPAC2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide
SMILESN#CCC(=O)Nc1c(C#N)ncn1-c1ccc(C#N)cc1
InChIInChI=1S/C14H8N6O/c15-6-5-13(21)19-14-12(8-17)18-9-20(14)11-3-1-10(7-16)2-4-11/h1-4,9H,5H2,(H,19,21)
InChIKeyXJBQPKYKTZHEGI-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.47
Rot. Bonds3

About 2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide

2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide (PubChem CID 66573212) has the molecular formula C14H8N6O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide
PubChem CID66573212
Molecular FormulaC14H8N6O
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide
SMILESN#CCC(=O)Nc1c(C#N)ncn1-c1ccc(C#N)cc1
InChIInChI=1S/C14H8N6O/c15-6-5-13(21)19-14-12(8-17)18-9-20(14)11-3-1-10(7-16)2-4-11/h1-4,9H,5H2,(H,19,21)
InChIKeyXJBQPKYKTZHEGI-UHFFFAOYSA-N
XLogP1.47
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyano-N-[5-cyano-3-(4-fluorophenyl)imidazol-4-yl]acetamide
CID 66573100
1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea
CID 10620700
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide
CID 166190288
2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 146190059
2-cyano-N-[4-(5-methyltetrazol-2-yl)phenyl]acetamide
CID 168523381
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
[2-(4-cyanoanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548822
2-cyano-N-(2-methylpyrimidin-5-yl)acetamide
CID 130643403
2-cyano-N-(4-pyrrol-1-ylphenyl)acetamide
CID 110470122
2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide
CID 155568071
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide?
The IUPAC name of 2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide (CID 66573212) is 2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide?
The canonical SMILES for 2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide is N#CCC(=O)Nc1c(C#N)ncn1-c1ccc(C#N)cc1.
What is the InChIKey of 2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide?
The InChIKey is XJBQPKYKTZHEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N6O/c15-6-5-13(21)19-14-12(8-17)18-9-20(14)11-3-1-10(7-16)2-4-11/h1-4,9H,5H2,(H,19,21).
What are the key properties of 2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide?
2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-cyano-3-(4-cyanophenyl)imidazol-4-yl]acetamide is sourced from PubChem (CID 66573212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).