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

C12H16N2O2 — CID 56637502

IUPAC4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one
SMILESCc1ccc(C2=NC(C)(C(C)C)C(=O)N2)o1
InChIInChI=1S/C12H16N2O2/c1-7(2)12(4)11(15)13-10(14-12)9-6-5-8(3)16-9/h5-7H,1-4H3,(H,13,14,15)
InChIKeyHLNITOPDKBPZTL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.88
Rot. Bonds2

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

4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one (PubChem CID 56637502) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one.

Molecular Properties

Compound Name4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one
PubChem CID56637502
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one
SMILESCc1ccc(C2=NC(C)(C(C)C)C(=O)N2)o1
InChIInChI=1S/C12H16N2O2/c1-7(2)12(4)11(15)13-10(14-12)9-6-5-8(3)16-9/h5-7H,1-4H3,(H,13,14,15)
InChIKeyHLNITOPDKBPZTL-UHFFFAOYSA-N
XLogP1.88
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one?
The IUPAC name of 4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one (CID 56637502) is 4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one.
What is the SMILES notation for 4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one?
The canonical SMILES for 4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one is Cc1ccc(C2=NC(C)(C(C)C)C(=O)N2)o1.
What is the InChIKey of 4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one?
The InChIKey is HLNITOPDKBPZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(2)12(4)11(15)13-10(14-12)9-6-5-8(3)16-9/h5-7H,1-4H3,(H,13,14,15).
What are the key properties of 4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one?
4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one has a molecular weight of 220.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylfuran-2-yl)-4-propan-2-yl-1H-imidazol-5-one is sourced from PubChem (CID 56637502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).