2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide

C11H18N6O — CID 175037818

IUPAC2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide
SMILESCCCCN1C=CN(CC(N)=O)C1.N#CNC#N
InChIInChI=1S/C9H17N3O.C2HN3/c1-2-3-4-11-5-6-12(8-11)7-9(10)13;3-1-5-2-4/h5-6H,2-4,7-8H2,1H3,(H2,10,13);5H
InChIKeyUPMFFBCXMSQJLG-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.14
Rot. Bonds5

About 2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide

2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide (PubChem CID 175037818) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide.

Molecular Properties

Compound Name2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide
PubChem CID175037818
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide
SMILESCCCCN1C=CN(CC(N)=O)C1.N#CNC#N
InChIInChI=1S/C9H17N3O.C2HN3/c1-2-3-4-11-5-6-12(8-11)7-9(10)13;3-1-5-2-4/h5-6H,2-4,7-8H2,1H3,(H2,10,13);5H
InChIKeyUPMFFBCXMSQJLG-UHFFFAOYSA-N
XLogP-0.14
TPSA109.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide?
The IUPAC name of 2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide (CID 175037818) is 2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide.
What is the SMILES notation for 2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide?
The canonical SMILES for 2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide is CCCCN1C=CN(CC(N)=O)C1.N#CNC#N.
What is the InChIKey of 2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide?
The InChIKey is UPMFFBCXMSQJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O.C2HN3/c1-2-3-4-11-5-6-12(8-11)7-9(10)13;3-1-5-2-4/h5-6H,2-4,7-8H2,1H3,(H2,10,13);5H.
What are the key properties of 2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide?
2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide has a molecular weight of 250.31 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2H-imidazol-1-yl)acetamide;cyanocyanamide is sourced from PubChem (CID 175037818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).