1,4-dibutyl-3-methylimidazol-2-one

C12H22N2O — CID 54299156

IUPAC1,4-dibutyl-3-methylimidazol-2-one
SMILESCCCCc1cn(CCCC)c(=O)n1C
InChIInChI=1S/C12H22N2O/c1-4-6-8-11-10-14(9-7-5-2)12(15)13(11)3/h10H,4-9H2,1-3H3
InChIKeySCYRSPGRTMGOFS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.33
Rot. Bonds6

About 1,4-dibutyl-3-methylimidazol-2-one

1,4-dibutyl-3-methylimidazol-2-one (PubChem CID 54299156) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,4-dibutyl-3-methylimidazol-2-one.

Molecular Properties

Compound Name1,4-dibutyl-3-methylimidazol-2-one
PubChem CID54299156
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1,4-dibutyl-3-methylimidazol-2-one
SMILESCCCCc1cn(CCCC)c(=O)n1C
InChIInChI=1S/C12H22N2O/c1-4-6-8-11-10-14(9-7-5-2)12(15)13(11)3/h10H,4-9H2,1-3H3
InChIKeySCYRSPGRTMGOFS-UHFFFAOYSA-N
XLogP2.33
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibutyl-3-methylimidazol-2-one?
The IUPAC name of 1,4-dibutyl-3-methylimidazol-2-one (CID 54299156) is 1,4-dibutyl-3-methylimidazol-2-one.
What is the SMILES notation for 1,4-dibutyl-3-methylimidazol-2-one?
The canonical SMILES for 1,4-dibutyl-3-methylimidazol-2-one is CCCCc1cn(CCCC)c(=O)n1C.
What is the InChIKey of 1,4-dibutyl-3-methylimidazol-2-one?
The InChIKey is SCYRSPGRTMGOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-6-8-11-10-14(9-7-5-2)12(15)13(11)3/h10H,4-9H2,1-3H3.
What are the key properties of 1,4-dibutyl-3-methylimidazol-2-one?
1,4-dibutyl-3-methylimidazol-2-one has a molecular weight of 210.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutyl-3-methylimidazol-2-one is sourced from PubChem (CID 54299156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).