2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one

C10H18N2O — CID 89273786

IUPAC2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one
SMILESCC(CC(C)(C)C)C1=NCC(=O)N1
InChIInChI=1S/C10H18N2O/c1-7(5-10(2,3)4)9-11-6-8(13)12-9/h7H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyUJVQPVZDUVCQQX-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.59
Rot. Bonds2

About 2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one

2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one (PubChem CID 89273786) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one
PubChem CID89273786
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one
SMILESCC(CC(C)(C)C)C1=NCC(=O)N1
InChIInChI=1S/C10H18N2O/c1-7(5-10(2,3)4)9-11-6-8(13)12-9/h7H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyUJVQPVZDUVCQQX-UHFFFAOYSA-N
XLogP1.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one (CID 89273786) is 2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one is CC(CC(C)(C)C)C1=NCC(=O)N1.
What is the InChIKey of 2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is UJVQPVZDUVCQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(5-10(2,3)4)9-11-6-8(13)12-9/h7H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of 2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one?
2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 182.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpentan-2-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 89273786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).