1-(4-benzylphenyl)-2-imidazol-1-ylethanone

C18H16N2O — CID 58580470

IUPAC1-(4-benzylphenyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H16N2O/c21-18(13-20-11-10-19-14-20)17-8-6-16(7-9-17)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2
InChIKeyQZTKHPOFALWKGE-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-benzylphenyl)-2-imidazol-1-ylethanone

1-(4-benzylphenyl)-2-imidazol-1-ylethanone (PubChem CID 58580470) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(4-benzylphenyl)-2-imidazol-1-ylethanone
PubChem CID58580470
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(4-benzylphenyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H16N2O/c21-18(13-20-11-10-19-14-20)17-8-6-16(7-9-17)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2
InChIKeyQZTKHPOFALWKGE-UHFFFAOYSA-N
XLogP3.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(4-benzylphenyl)-2-imidazol-1-ylethanone (CID 58580470) is 1-(4-benzylphenyl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(4-benzylphenyl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(4-benzylphenyl)-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-benzylphenyl)-2-imidazol-1-ylethanone?
The InChIKey is QZTKHPOFALWKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(13-20-11-10-19-14-20)17-8-6-16(7-9-17)12-15-4-2-1-3-5-15/h1-11,14H,12-13H2.
What are the key properties of 1-(4-benzylphenyl)-2-imidazol-1-ylethanone?
1-(4-benzylphenyl)-2-imidazol-1-ylethanone has a molecular weight of 276.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 58580470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).