1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one

C23H26N2O — CID 174289429

IUPAC1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one
SMILESCCc1cn(-c2ccccc2)c(-c2ccc(C(=O)C(C)C)c(CC)c2)n1
InChIInChI=1S/C23H26N2O/c1-5-17-14-18(12-13-21(17)22(26)16(3)4)23-24-19(6-2)15-25(23)20-10-8-7-9-11-20/h7-16H,5-6H2,1-4H3
InChIKeyNCAAHHHRRSXVOH-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.50
Rot. Bonds6

About 1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one

1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one (PubChem CID 174289429) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one
PubChem CID174289429
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one
SMILESCCc1cn(-c2ccccc2)c(-c2ccc(C(=O)C(C)C)c(CC)c2)n1
InChIInChI=1S/C23H26N2O/c1-5-17-14-18(12-13-21(17)22(26)16(3)4)23-24-19(6-2)15-25(23)20-10-8-7-9-11-20/h7-16H,5-6H2,1-4H3
InChIKeyNCAAHHHRRSXVOH-UHFFFAOYSA-N
XLogP5.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one (CID 174289429) is 1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one is CCc1cn(-c2ccccc2)c(-c2ccc(C(=O)C(C)C)c(CC)c2)n1.
What is the InChIKey of 1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one?
The InChIKey is NCAAHHHRRSXVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-5-17-14-18(12-13-21(17)22(26)16(3)4)23-24-19(6-2)15-25(23)20-10-8-7-9-11-20/h7-16H,5-6H2,1-4H3.
What are the key properties of 1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one?
1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one has a molecular weight of 346.47 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-4-(4-ethyl-1-phenylimidazol-2-yl)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 174289429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).