5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one

C16H22N2O2 — CID 10967713

IUPAC5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one
SMILESCCCc1c(Cc2ccccc2)[nH]c(=O)n1COCC
InChIInChI=1S/C16H22N2O2/c1-3-8-15-14(11-13-9-6-5-7-10-13)17-16(19)18(15)12-20-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,19)
InChIKeyIOYRESLLVOVIQN-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.71
Rot. Bonds7

About 5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one

5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one (PubChem CID 10967713) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one
PubChem CID10967713
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one
SMILESCCCc1c(Cc2ccccc2)[nH]c(=O)n1COCC
InChIInChI=1S/C16H22N2O2/c1-3-8-15-14(11-13-9-6-5-7-10-13)17-16(19)18(15)12-20-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,19)
InChIKeyIOYRESLLVOVIQN-UHFFFAOYSA-N
XLogP2.71
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one?
The IUPAC name of 5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one (CID 10967713) is 5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one.
What is the SMILES notation for 5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one?
The canonical SMILES for 5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one is CCCc1c(Cc2ccccc2)[nH]c(=O)n1COCC.
What is the InChIKey of 5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one?
The InChIKey is IOYRESLLVOVIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-8-15-14(11-13-9-6-5-7-10-13)17-16(19)18(15)12-20-4-2/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,17,19).
What are the key properties of 5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one?
5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(ethoxymethyl)-4-propyl-1H-imidazol-2-one is sourced from PubChem (CID 10967713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).