5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one

C19H20N4O3 — CID 15169590

IUPAC5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one
SMILESCCC(=O)n1c(C(=O)c2ccc(-n3ccnc3C)cc2)c(CC)[nH]c1=O
InChIInChI=1S/C19H20N4O3/c1-4-15-17(23(16(24)5-2)19(26)21-15)18(25)13-6-8-14(9-7-13)22-11-10-20-12(22)3/h6-11H,4-5H2,1-3H3,(H,21,26)
InChIKeyWTDBWGAJVPLUIH-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.51
Rot. Bonds5

About 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one

5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one (PubChem CID 15169590) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one
PubChem CID15169590
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one
SMILESCCC(=O)n1c(C(=O)c2ccc(-n3ccnc3C)cc2)c(CC)[nH]c1=O
InChIInChI=1S/C19H20N4O3/c1-4-15-17(23(16(24)5-2)19(26)21-15)18(25)13-6-8-14(9-7-13)22-11-10-20-12(22)3/h6-11H,4-5H2,1-3H3,(H,21,26)
InChIKeyWTDBWGAJVPLUIH-UHFFFAOYSA-N
XLogP2.51
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one?
The IUPAC name of 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one (CID 15169590) is 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one.
What is the SMILES notation for 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one?
The canonical SMILES for 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one is CCC(=O)n1c(C(=O)c2ccc(-n3ccnc3C)cc2)c(CC)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one?
The InChIKey is WTDBWGAJVPLUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-15-17(23(16(24)5-2)19(26)21-15)18(25)13-6-8-14(9-7-13)22-11-10-20-12(22)3/h6-11H,4-5H2,1-3H3,(H,21,26).
What are the key properties of 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one?
5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one has a molecular weight of 352.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one is sourced from PubChem (CID 15169590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).