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

C23H20N4O3 — CID 10023912

IUPAC3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(C(=O)c2ccccc2)c1C(=O)c1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C23H20N4O3/c1-3-19-20(27(23(30)25-19)22(29)17-7-5-4-6-8-17)21(28)16-9-11-18(12-10-16)26-14-13-24-15(26)2/h4-14H,3H2,1-2H3,(H,25,30)
InChIKeyHDGGLRXLUOOMLC-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.15
Rot. Bonds5

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

3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one (PubChem CID 10023912) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one
PubChem CID10023912
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(C(=O)c2ccccc2)c1C(=O)c1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C23H20N4O3/c1-3-19-20(27(23(30)25-19)22(29)17-7-5-4-6-8-17)21(28)16-9-11-18(12-10-16)26-14-13-24-15(26)2/h4-14H,3H2,1-2H3,(H,25,30)
InChIKeyHDGGLRXLUOOMLC-UHFFFAOYSA-N
XLogP3.15
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one?
The IUPAC name of 3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one (CID 10023912) is 3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one?
The canonical SMILES for 3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one is CCc1[nH]c(=O)n(C(=O)c2ccccc2)c1C(=O)c1ccc(-n2ccnc2C)cc1.
What is the InChIKey of 3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one?
The InChIKey is HDGGLRXLUOOMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-3-19-20(27(23(30)25-19)22(29)17-7-5-4-6-8-17)21(28)16-9-11-18(12-10-16)26-14-13-24-15(26)2/h4-14H,3H2,1-2H3,(H,25,30).
What are the key properties of 3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one?
3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one has a molecular weight of 400.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one is sourced from PubChem (CID 10023912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).