2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one

C17H25N3O — CID 166995935

IUPAC2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one
SMILESCCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(C)C)c1
InChIInChI=1S/C17H25N3O/c1-7-12-8-13(10(2)3)14(18-9-12)15-19-16(21)17(6,20-15)11(4)5/h8-11H,7H2,1-6H3,(H,19,20,21)
InChIKeyMKJRUJRFEYYFTE-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.06
Rot. Bonds4

About 2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one

2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one (PubChem CID 166995935) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one
PubChem CID166995935
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one
SMILESCCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(C)C)c1
InChIInChI=1S/C17H25N3O/c1-7-12-8-13(10(2)3)14(18-9-12)15-19-16(21)17(6,20-15)11(4)5/h8-11H,7H2,1-6H3,(H,19,20,21)
InChIKeyMKJRUJRFEYYFTE-UHFFFAOYSA-N
XLogP3.06
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The IUPAC name of 2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one (CID 166995935) is 2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one.
What is the SMILES notation for 2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The canonical SMILES for 2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one is CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(C)C)c1.
What is the InChIKey of 2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
The InChIKey is MKJRUJRFEYYFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-7-12-8-13(10(2)3)14(18-9-12)15-19-16(21)17(6,20-15)11(4)5/h8-11H,7H2,1-6H3,(H,19,20,21).
What are the key properties of 2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one?
2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one has a molecular weight of 287.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-propan-2-yl-2-pyridinyl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 166995935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).