N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide

C13H18N4O — CID 56789707

IUPACN-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)NC(C)(C#N)C2CC2)c1C
InChIInChI=1S/C13H18N4O/c1-9-10(2)17(8-15-9)6-12(18)16-13(3,7-14)11-4-5-11/h8,11H,4-6H2,1-3H3,(H,16,18)
InChIKeyJNAQJEIHKXEAEN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.31
Rot. Bonds4

About N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide

N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide (PubChem CID 56789707) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
PubChem CID56789707
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
SMILESCc1ncn(CC(=O)NC(C)(C#N)C2CC2)c1C
InChIInChI=1S/C13H18N4O/c1-9-10(2)17(8-15-9)6-12(18)16-13(3,7-14)11-4-5-11/h8,11H,4-6H2,1-3H3,(H,16,18)
InChIKeyJNAQJEIHKXEAEN-UHFFFAOYSA-N
XLogP1.31
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide (CID 56789707) is N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide is Cc1ncn(CC(=O)NC(C)(C#N)C2CC2)c1C.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide?
The InChIKey is JNAQJEIHKXEAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-10(2)17(8-15-9)6-12(18)16-13(3,7-14)11-4-5-11/h8,11H,4-6H2,1-3H3,(H,16,18).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-(4,5-dimethylimidazol-1-yl)acetamide is sourced from PubChem (CID 56789707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).