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

C15H21N3O — CID 23053527

IUPAC4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one
SMILESCCCc1ccc(C2=NC(C)(C(C)C)C(=O)N2)nc1
InChIInChI=1S/C15H21N3O/c1-5-6-11-7-8-12(16-9-11)13-17-14(19)15(4,18-13)10(2)3/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyGVRUUMYRMIYXBX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.33
Rot. Bonds4

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

4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one (PubChem CID 23053527) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one
PubChem CID23053527
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one
SMILESCCCc1ccc(C2=NC(C)(C(C)C)C(=O)N2)nc1
InChIInChI=1S/C15H21N3O/c1-5-6-11-7-8-12(16-9-11)13-17-14(19)15(4,18-13)10(2)3/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyGVRUUMYRMIYXBX-UHFFFAOYSA-N
XLogP2.33
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one?
The IUPAC name of 4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one (CID 23053527) is 4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one.
What is the SMILES notation for 4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one?
The canonical SMILES for 4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one is CCCc1ccc(C2=NC(C)(C(C)C)C(=O)N2)nc1.
What is the InChIKey of 4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one?
The InChIKey is GVRUUMYRMIYXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-6-11-7-8-12(16-9-11)13-17-14(19)15(4,18-13)10(2)3/h7-10H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one?
4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one has a molecular weight of 259.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propan-2-yl-2-(5-propyl-2-pyridinyl)-1H-imidazol-5-one is sourced from PubChem (CID 23053527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).