2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane

C14H28N2O — CID 170592119

IUPAC2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane
SMILESCC.CCCCC1=NC(CC)(CCC)C(=O)N1
InChIInChI=1S/C12H22N2O.C2H6/c1-4-7-8-10-13-11(15)12(6-3,14-10)9-5-2;1-2/h4-9H2,1-3H3,(H,13,14,15);1-2H3
InChIKeyNYNUWEIQJUITEI-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.68
Rot. Bonds6

About 2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane

2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane (PubChem CID 170592119) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane.

Molecular Properties

Compound Name2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane
PubChem CID170592119
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane
SMILESCC.CCCCC1=NC(CC)(CCC)C(=O)N1
InChIInChI=1S/C12H22N2O.C2H6/c1-4-7-8-10-13-11(15)12(6-3,14-10)9-5-2;1-2/h4-9H2,1-3H3,(H,13,14,15);1-2H3
InChIKeyNYNUWEIQJUITEI-UHFFFAOYSA-N
XLogP3.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butyl-1,3-diazaspiro(4.4)non-1-en-4-one hydrochloride
CID 10176995
2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 10176511
2-(3,3-Difluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 22574667
2-(3,3,3-Trifluoropropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 22574754
2-Ethyl-8,8-difluoro-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 126673783
2-(1-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619012
2-(4-Fluorobutyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 142619017
2-butyl-4,4-bis(2-fluoroethyl)-1H-imidazol-5-one
CID 170353554
2-ethyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 14624626
2-butyl-4,4-dimethyl-1H-imidazol-5-one
CID 15745372
2-Propyl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 15818745
2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 19350166

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane?
The IUPAC name of 2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane (CID 170592119) is 2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane.
What is the SMILES notation for 2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane?
The canonical SMILES for 2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane is CC.CCCCC1=NC(CC)(CCC)C(=O)N1.
What is the InChIKey of 2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane?
The InChIKey is NYNUWEIQJUITEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C2H6/c1-4-7-8-10-13-11(15)12(6-3,14-10)9-5-2;1-2/h4-9H2,1-3H3,(H,13,14,15);1-2H3.
What are the key properties of 2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane?
2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane has a molecular weight of 240.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-ethyl-4-propyl-1H-imidazol-5-one;ethane is sourced from PubChem (CID 170592119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).