3-butyl-4-methyl-1-propan-2-ylimidazol-2-one

C11H20N2O — CID 121224014

IUPAC3-butyl-4-methyl-1-propan-2-ylimidazol-2-one
SMILESCCCCn1c(C)cn(C(C)C)c1=O
InChIInChI=1S/C11H20N2O/c1-5-6-7-12-10(4)8-13(9(2)3)11(12)14/h8-9H,5-7H2,1-4H3
InChIKeyYRISSQVEFHLAJW-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.34
Rot. Bonds4

About 3-butyl-4-methyl-1-propan-2-ylimidazol-2-one

3-butyl-4-methyl-1-propan-2-ylimidazol-2-one (PubChem CID 121224014) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-butyl-4-methyl-1-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name3-butyl-4-methyl-1-propan-2-ylimidazol-2-one
PubChem CID121224014
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-butyl-4-methyl-1-propan-2-ylimidazol-2-one
SMILESCCCCn1c(C)cn(C(C)C)c1=O
InChIInChI=1S/C11H20N2O/c1-5-6-7-12-10(4)8-13(9(2)3)11(12)14/h8-9H,5-7H2,1-4H3
InChIKeyYRISSQVEFHLAJW-UHFFFAOYSA-N
XLogP2.34
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dihydro-1,3,4-trimethyl-2H-imidazol-2-one
CID 11051656
4-Methyl-1,3-di(propan-2-yl)imidazol-2-one
CID 85551232
1-Butyl-5-methyl-2-imidazolone
CID 26434
1,3-Dibutyl-4-ethylimidazol-2-one
CID 166445280
1-Propan-2-yl-3-propylimidazol-2-one
CID 23555511
1,4-Dibutyl-3-methylimidazol-2-one
CID 54299156
3-Ethyl-1,4-dimethylimidazol-2-one
CID 59571529
4-Butyl-3-methyl-1-propylimidazol-2-one
CID 59921211
3,4-Diethyl-1-methylimidazol-2-one
CID 68214542
1-Pentyl-3-propan-2-ylimidazol-2-one
CID 89099528
3-Butyl-1-methyl-4-methylideneimidazolidin-2-one
CID 89278898
1,3-Ditert-butyl-4-methylimidazol-2-one
CID 118941374

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-methyl-1-propan-2-ylimidazol-2-one?
The IUPAC name of 3-butyl-4-methyl-1-propan-2-ylimidazol-2-one (CID 121224014) is 3-butyl-4-methyl-1-propan-2-ylimidazol-2-one.
What is the SMILES notation for 3-butyl-4-methyl-1-propan-2-ylimidazol-2-one?
The canonical SMILES for 3-butyl-4-methyl-1-propan-2-ylimidazol-2-one is CCCCn1c(C)cn(C(C)C)c1=O.
What is the InChIKey of 3-butyl-4-methyl-1-propan-2-ylimidazol-2-one?
The InChIKey is YRISSQVEFHLAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-6-7-12-10(4)8-13(9(2)3)11(12)14/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-butyl-4-methyl-1-propan-2-ylimidazol-2-one?
3-butyl-4-methyl-1-propan-2-ylimidazol-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-methyl-1-propan-2-ylimidazol-2-one is sourced from PubChem (CID 121224014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).