2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate

C15H28N2O2 — CID 123582576

IUPAC2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate
SMILESCCCCN1C=CN(CCOC(=O)C(C)(C)CC)C1
InChIInChI=1S/C15H28N2O2/c1-5-7-8-16-9-10-17(13-16)11-12-19-14(18)15(3,4)6-2/h9-10H,5-8,11-13H2,1-4H3
InChIKeyWAFCRUSSPNLCSS-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.81
Rot. Bonds8

About 2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate

2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate (PubChem CID 123582576) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate
PubChem CID123582576
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate
SMILESCCCCN1C=CN(CCOC(=O)C(C)(C)CC)C1
InChIInChI=1S/C15H28N2O2/c1-5-7-8-16-9-10-17(13-16)11-12-19-14(18)15(3,4)6-2/h9-10H,5-8,11-13H2,1-4H3
InChIKeyWAFCRUSSPNLCSS-UHFFFAOYSA-N
XLogP2.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate (CID 123582576) is 2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate is CCCCN1C=CN(CCOC(=O)C(C)(C)CC)C1.
What is the InChIKey of 2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate?
The InChIKey is WAFCRUSSPNLCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-7-8-16-9-10-17(13-16)11-12-19-14(18)15(3,4)6-2/h9-10H,5-8,11-13H2,1-4H3.
What are the key properties of 2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate?
2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate has a molecular weight of 268.40 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2H-imidazol-1-yl)ethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 123582576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).