2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide

C15H19N5O — CID 136531796

IUPAC2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1N(C)C(=O)Cn1cnc(C#N)c1C#N
InChIInChI=1S/C15H19N5O/c1-11-5-3-4-6-13(11)19(2)15(21)9-20-10-18-12(7-16)14(20)8-17/h10-11,13H,3-6,9H2,1-2H3
InChIKeyWRALNIASGONJSX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.66
Rot. Bonds3

About 2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide

2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 136531796) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
PubChem CID136531796
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1N(C)C(=O)Cn1cnc(C#N)c1C#N
InChIInChI=1S/C15H19N5O/c1-11-5-3-4-6-13(11)19(2)15(21)9-20-10-18-12(7-16)14(20)8-17/h10-11,13H,3-6,9H2,1-2H3
InChIKeyWRALNIASGONJSX-UHFFFAOYSA-N
XLogP1.66
TPSA85.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide (CID 136531796) is 2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1N(C)C(=O)Cn1cnc(C#N)c1C#N.
What is the InChIKey of 2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is WRALNIASGONJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-5-3-4-6-13(11)19(2)15(21)9-20-10-18-12(7-16)14(20)8-17/h10-11,13H,3-6,9H2,1-2H3.
What are the key properties of 2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide?
2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dicyanoimidazol-1-yl)-N-methyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 136531796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).