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

C24H22N4O3 — CID 15169592

IUPAC5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-(2-phenylacetyl)-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(C(=O)Cc2ccccc2)c1C(=O)c1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C24H22N4O3/c1-3-20-22(28(24(31)26-20)21(29)15-17-7-5-4-6-8-17)23(30)18-9-11-19(12-10-18)27-14-13-25-16(27)2/h4-14H,3,15H2,1-2H3,(H,26,31)
InChIKeyXQNQPJXQURUCHQ-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.35
Rot. Bonds6

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

5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-(2-phenylacetyl)-1H-imidazol-2-one (PubChem CID 15169592) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-(2-phenylacetyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-(2-phenylacetyl)-1H-imidazol-2-one
PubChem CID15169592
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-(2-phenylacetyl)-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(C(=O)Cc2ccccc2)c1C(=O)c1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C24H22N4O3/c1-3-20-22(28(24(31)26-20)21(29)15-17-7-5-4-6-8-17)23(30)18-9-11-19(12-10-18)27-14-13-25-16(27)2/h4-14H,3,15H2,1-2H3,(H,26,31)
InChIKeyXQNQPJXQURUCHQ-UHFFFAOYSA-N
XLogP3.35
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.35
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-(2-phenylacetyl)-1H-imidazol-2-one?
The IUPAC name of 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-(2-phenylacetyl)-1H-imidazol-2-one (CID 15169592) is 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-(2-phenylacetyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-(2-phenylacetyl)-1H-imidazol-2-one?
The canonical SMILES for 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-(2-phenylacetyl)-1H-imidazol-2-one is CCc1[nH]c(=O)n(C(=O)Cc2ccccc2)c1C(=O)c1ccc(-n2ccnc2C)cc1.
What is the InChIKey of 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-(2-phenylacetyl)-1H-imidazol-2-one?
The InChIKey is XQNQPJXQURUCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-3-20-22(28(24(31)26-20)21(29)15-17-7-5-4-6-8-17)23(30)18-9-11-19(12-10-18)27-14-13-25-16(27)2/h4-14H,3,15H2,1-2H3,(H,26,31).
What are the key properties of 5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-(2-phenylacetyl)-1H-imidazol-2-one?
5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-(2-phenylacetyl)-1H-imidazol-2-one has a molecular weight of 414.47 g/mol, XLogP of 3.35, 6 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-(2-phenylacetyl)-1H-imidazol-2-one is sourced from PubChem (CID 15169592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).