2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one

C11H20N2O — CID 19350166

IUPAC2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
SMILESCCCCC1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C11H20N2O/c1-5-6-7-9-12-10(14)11(4,13-9)8(2)3/h8H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyNBVOLWPCFORXKA-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.12
Rot. Bonds4

About 2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one

2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one (PubChem CID 19350166) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
PubChem CID19350166
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one
SMILESCCCCC1=NC(C)(C(C)C)C(=O)N1
InChIInChI=1S/C11H20N2O/c1-5-6-7-9-12-10(14)11(4,13-9)8(2)3/h8H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyNBVOLWPCFORXKA-UHFFFAOYSA-N
XLogP2.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The IUPAC name of 2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one (CID 19350166) is 2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one.
What is the SMILES notation for 2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The canonical SMILES for 2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one is CCCCC1=NC(C)(C(C)C)C(=O)N1.
What is the InChIKey of 2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The InChIKey is NBVOLWPCFORXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-6-7-9-12-10(14)11(4,13-9)8(2)3/h8H,5-7H2,1-4H3,(H,12,13,14).
What are the key properties of 2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one has a molecular weight of 196.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-4-propan-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 19350166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).