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

C18H18N4O3 — CID 15169589

IUPAC3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(C(C)=O)c1C(=O)c1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C18H18N4O3/c1-4-15-16(22(12(3)23)18(25)20-15)17(24)13-5-7-14(8-6-13)21-10-9-19-11(21)2/h5-10H,4H2,1-3H3,(H,20,25)
InChIKeyAQUDUZCNPHLPPA-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.12
Rot. Bonds4

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

3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one (PubChem CID 15169589) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one
PubChem CID15169589
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one
SMILESCCc1[nH]c(=O)n(C(C)=O)c1C(=O)c1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C18H18N4O3/c1-4-15-16(22(12(3)23)18(25)20-15)17(24)13-5-7-14(8-6-13)21-10-9-19-11(21)2/h5-10H,4H2,1-3H3,(H,20,25)
InChIKeyAQUDUZCNPHLPPA-UHFFFAOYSA-N
XLogP2.12
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-(1H-Imidazol-1-yl)phenyl)ethanone
CID 82316
1-(3-(1H-imidazol-1-yl)propyl)-3-(4-acetylphenyl)thiourea
CID 4389874
CK 2289
CID 127769
(4-aminophenyl)(1-methyl-1H-imidazol-2-yl)methanone
CID 4961864
CK 2130
CID 127770
analog of CK 3197
CID 10023912
N-(4-(2-(1H-Imidazol-1-yl)acetyl)phenyl)methanesulfonamide
CID 3059770
1-(4-Aminophenyl)-2-(1h-imidazol-1-yl)ethanone
CID 53602
4-(1H-imidazol-1-yl)benzamide
CID 2768493
5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-3-propanoyl-1H-imidazol-2-one
CID 15169590
N-(3-acetylphenyl)-3-(1H-imidazol-1-yl)butanamide
CID 24761534
N-(4-acetylphenyl)-2-{[1-(2-phenylethyl)-1H-imidazol-2-yl]sulfanyl}acetamide
CID 575169

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one?
The IUPAC name of 3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one (CID 15169589) is 3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one?
The canonical SMILES for 3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one is CCc1[nH]c(=O)n(C(C)=O)c1C(=O)c1ccc(-n2ccnc2C)cc1.
What is the InChIKey of 3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one?
The InChIKey is AQUDUZCNPHLPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-4-15-16(22(12(3)23)18(25)20-15)17(24)13-5-7-14(8-6-13)21-10-9-19-11(21)2/h5-10H,4H2,1-3H3,(H,20,25).
What are the key properties of 3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one?
3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one has a molecular weight of 338.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one is sourced from PubChem (CID 15169589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).