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

C12H22N2O — CID 18384161

IUPAC5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one
SMILESCCCCc1cn(CCC(C)C)c(=O)[nH]1
InChIInChI=1S/C12H22N2O/c1-4-5-6-11-9-14(12(15)13-11)8-7-10(2)3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyFHTUTZFOPBVJQE-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.57
Rot. Bonds6

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

5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one (PubChem CID 18384161) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one
PubChem CID18384161
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one
SMILESCCCCc1cn(CCC(C)C)c(=O)[nH]1
InChIInChI=1S/C12H22N2O/c1-4-5-6-11-9-14(12(15)13-11)8-7-10(2)3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyFHTUTZFOPBVJQE-UHFFFAOYSA-N
XLogP2.57
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one (CID 18384161) is 5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one is CCCCc1cn(CCC(C)C)c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one?
The InChIKey is FHTUTZFOPBVJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-6-11-9-14(12(15)13-11)8-7-10(2)3/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one?
5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one has a molecular weight of 210.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one is sourced from PubChem (CID 18384161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).