3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one

C10H18N2O — CID 144531428

IUPAC3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one
SMILESCCCC(C)c1c(C)[nH]c(=O)n1C
InChIInChI=1S/C10H18N2O/c1-5-6-7(2)9-8(3)11-10(13)12(9)4/h7H,5-6H2,1-4H3,(H,11,13)
InChIKeyFTIZTEHFVGUNCS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.93
Rot. Bonds3

About 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one

3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one (PubChem CID 144531428) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one
PubChem CID144531428
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one
SMILESCCCC(C)c1c(C)[nH]c(=O)n1C
InChIInChI=1S/C10H18N2O/c1-5-6-7(2)9-8(3)11-10(13)12(9)4/h7H,5-6H2,1-4H3,(H,11,13)
InChIKeyFTIZTEHFVGUNCS-UHFFFAOYSA-N
XLogP1.93
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one?
The IUPAC name of 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one (CID 144531428) is 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one?
The canonical SMILES for 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one is CCCC(C)c1c(C)[nH]c(=O)n1C.
What is the InChIKey of 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one?
The InChIKey is FTIZTEHFVGUNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-6-7(2)9-8(3)11-10(13)12(9)4/h7H,5-6H2,1-4H3,(H,11,13).
What are the key properties of 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one?
3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one has a molecular weight of 182.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-pentan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 144531428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).