5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one

C12H22N2O — CID 150389794

IUPAC5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one
SMILESCC(C)CCc1cn(CC(C)C)c(=O)[nH]1
InChIInChI=1S/C12H22N2O/c1-9(2)5-6-11-8-14(7-10(3)4)12(15)13-11/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyHBLRILQRWFMMFE-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.42
Rot. Bonds5

About 5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one

5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one (PubChem CID 150389794) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one
PubChem CID150389794
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one
SMILESCC(C)CCc1cn(CC(C)C)c(=O)[nH]1
InChIInChI=1S/C12H22N2O/c1-9(2)5-6-11-8-14(7-10(3)4)12(15)13-11/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyHBLRILQRWFMMFE-UHFFFAOYSA-N
XLogP2.42
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one?
The IUPAC name of 5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one (CID 150389794) is 5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one is CC(C)CCc1cn(CC(C)C)c(=O)[nH]1.
What is the InChIKey of 5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one?
The InChIKey is HBLRILQRWFMMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)5-6-11-8-14(7-10(3)4)12(15)13-11/h8-10H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one?
5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one has a molecular weight of 210.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-3-(2-methylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 150389794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).