2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide

C10H14N4O — CID 55219236

IUPAC2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C10H14N4O/c1-3-10(4-2,7-11)8(15)14-9-12-5-6-13-9/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyLHHRZCPIKDUMRA-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.68
Rot. Bonds4

About 2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide

2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide (PubChem CID 55219236) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide
PubChem CID55219236
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C10H14N4O/c1-3-10(4-2,7-11)8(15)14-9-12-5-6-13-9/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyLHHRZCPIKDUMRA-UHFFFAOYSA-N
XLogP1.68
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide (CID 55219236) is 2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide is CCC(C#N)(CC)C(=O)Nc1ncc[nH]1.
What is the InChIKey of 2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide?
The InChIKey is LHHRZCPIKDUMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-10(4-2,7-11)8(15)14-9-12-5-6-13-9/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide?
2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide has a molecular weight of 206.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-(1H-imidazol-2-yl)butanamide is sourced from PubChem (CID 55219236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).