1-(2-cyclobutylpropyl)imidazole-2-carbonitrile

C11H15N3 — CID 130804296

IUPAC1-(2-cyclobutylpropyl)imidazole-2-carbonitrile
SMILESCC(Cn1ccnc1C#N)C1CCC1
InChIInChI=1S/C11H15N3/c1-9(10-3-2-4-10)8-14-6-5-13-11(14)7-12/h5-6,9-10H,2-4,8H2,1H3
InChIKeyHIPBWUHRHIGCJE-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.19
Rot. Bonds3

About 1-(2-cyclobutylpropyl)imidazole-2-carbonitrile

1-(2-cyclobutylpropyl)imidazole-2-carbonitrile (PubChem CID 130804296) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2-cyclobutylpropyl)imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-(2-cyclobutylpropyl)imidazole-2-carbonitrile
PubChem CID130804296
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-(2-cyclobutylpropyl)imidazole-2-carbonitrile
SMILESCC(Cn1ccnc1C#N)C1CCC1
InChIInChI=1S/C11H15N3/c1-9(10-3-2-4-10)8-14-6-5-13-11(14)7-12/h5-6,9-10H,2-4,8H2,1H3
InChIKeyHIPBWUHRHIGCJE-UHFFFAOYSA-N
XLogP2.19
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutyl)imidazole-2-carbonitrile
CID 79002203
1-(2-cyano-3,3,3-trifluoropropyl)imidazole-2-carbonitrile
CID 103368174
1-[4-(oxan-4-yl)butyl]imidazole-2-carbonitrile
CID 114192613
N-[1-cyclohexyl-2-(2-propan-2-ylimidazol-1-yl)ethyl]propan-1-amine
CID 104747255
3-(2-cyclobutylpropoxy)pyridine-2-carbonitrile
CID 166238588
N-(2-cyclopropylpropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106580216
1-cyclopentyl-2-(2-methylimidazol-1-yl)ethanol
CID 104753089
1-cyclopropyl-N-ethyl-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 63912643
(3R)-3-cyclopentylbutanenitrile
CID 142587124
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
oxan-3-yl-(1-propylimidazol-2-yl)methanamine
CID 65332241
1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile
CID 103849677

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylpropyl)imidazole-2-carbonitrile?
The IUPAC name of 1-(2-cyclobutylpropyl)imidazole-2-carbonitrile (CID 130804296) is 1-(2-cyclobutylpropyl)imidazole-2-carbonitrile.
What is the SMILES notation for 1-(2-cyclobutylpropyl)imidazole-2-carbonitrile?
The canonical SMILES for 1-(2-cyclobutylpropyl)imidazole-2-carbonitrile is CC(Cn1ccnc1C#N)C1CCC1.
What is the InChIKey of 1-(2-cyclobutylpropyl)imidazole-2-carbonitrile?
The InChIKey is HIPBWUHRHIGCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-9(10-3-2-4-10)8-14-6-5-13-11(14)7-12/h5-6,9-10H,2-4,8H2,1H3.
What are the key properties of 1-(2-cyclobutylpropyl)imidazole-2-carbonitrile?
1-(2-cyclobutylpropyl)imidazole-2-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylpropyl)imidazole-2-carbonitrile is sourced from PubChem (CID 130804296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).