4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one

C10H18N2O — CID 10583589

IUPAC4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one
SMILESCC(C)n1c(C(C)(C)C)c[nH]c1=O
InChIInChI=1S/C10H18N2O/c1-7(2)12-8(10(3,4)5)6-11-9(12)13/h6-7H,1-5H3,(H,11,13)
InChIKeyFZAYAZLARHRJEU-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.05
Rot. Bonds1

About 4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one

4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one (PubChem CID 10583589) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one
PubChem CID10583589
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one
SMILESCC(C)n1c(C(C)(C)C)c[nH]c1=O
InChIInChI=1S/C10H18N2O/c1-7(2)12-8(10(3,4)5)6-11-9(12)13/h6-7H,1-5H3,(H,11,13)
InChIKeyFZAYAZLARHRJEU-UHFFFAOYSA-N
XLogP2.05
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one?
The IUPAC name of 4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one (CID 10583589) is 4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one?
The canonical SMILES for 4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one is CC(C)n1c(C(C)(C)C)c[nH]c1=O.
What is the InChIKey of 4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one?
The InChIKey is FZAYAZLARHRJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)12-8(10(3,4)5)6-11-9(12)13/h6-7H,1-5H3,(H,11,13).
What are the key properties of 4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one?
4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one has a molecular weight of 182.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-propan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 10583589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).