4-butyl-3-methyl-1-propylimidazol-2-one

C11H20N2O — CID 59921211

IUPAC4-butyl-3-methyl-1-propylimidazol-2-one
SMILESCCCCc1cn(CCC)c(=O)n1C
InChIInChI=1S/C11H20N2O/c1-4-6-7-10-9-13(8-5-2)11(14)12(10)3/h9H,4-8H2,1-3H3
InChIKeyVUCICNALOBARDI-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.94
Rot. Bonds5

About 4-butyl-3-methyl-1-propylimidazol-2-one

4-butyl-3-methyl-1-propylimidazol-2-one (PubChem CID 59921211) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-butyl-3-methyl-1-propylimidazol-2-one.

Molecular Properties

Compound Name4-butyl-3-methyl-1-propylimidazol-2-one
PubChem CID59921211
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-butyl-3-methyl-1-propylimidazol-2-one
SMILESCCCCc1cn(CCC)c(=O)n1C
InChIInChI=1S/C11H20N2O/c1-4-6-7-10-9-13(8-5-2)11(14)12(10)3/h9H,4-8H2,1-3H3
InChIKeyVUCICNALOBARDI-UHFFFAOYSA-N
XLogP1.94
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-3-propan-2-yl-1H-imidazol-2-one
CID 18384891
4-Hexyl-4-imidazolin-2-one
CID 14572724
1,3-Dibutyl-4-ethylimidazol-2-one
CID 166445280
1,4-Dibutylimidazol-2-one
CID 15405728
4-Ethyl-1,3-dimethylimidazol-2-one
CID 18338546
3,5-dipropyl-1H-imidazol-2-one
CID 18384147
5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one
CID 18384161
5-butyl-3-(2-methylpropyl)-1H-imidazol-2-one
CID 18384252
3-butyl-5-(3-methylbutyl)-1H-imidazol-2-one
CID 18384306
5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one
CID 18384329
5-butyl-3-cyclopentyl-1H-imidazol-2-one
CID 18384336
5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one
CID 18384398

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-methyl-1-propylimidazol-2-one?
The IUPAC name of 4-butyl-3-methyl-1-propylimidazol-2-one (CID 59921211) is 4-butyl-3-methyl-1-propylimidazol-2-one.
What is the SMILES notation for 4-butyl-3-methyl-1-propylimidazol-2-one?
The canonical SMILES for 4-butyl-3-methyl-1-propylimidazol-2-one is CCCCc1cn(CCC)c(=O)n1C.
What is the InChIKey of 4-butyl-3-methyl-1-propylimidazol-2-one?
The InChIKey is VUCICNALOBARDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-6-7-10-9-13(8-5-2)11(14)12(10)3/h9H,4-8H2,1-3H3.
What are the key properties of 4-butyl-3-methyl-1-propylimidazol-2-one?
4-butyl-3-methyl-1-propylimidazol-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-methyl-1-propylimidazol-2-one is sourced from PubChem (CID 59921211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).