[2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone

C23H18N2O — CID 16747939

IUPAC[2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)c1ccccc1Cn1ccnc1
InChIInChI=1S/C23H18N2O/c26-23(20-12-10-19(11-13-20)18-6-2-1-3-7-18)22-9-5-4-8-21(22)16-25-15-14-24-17-25/h1-15,17H,16H2
InChIKeyQSXXNXFEELWMJA-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.83
Rot. Bonds5

About [2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone

[2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone (PubChem CID 16747939) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is [2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone
PubChem CID16747939
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name[2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)c1ccccc1Cn1ccnc1
InChIInChI=1S/C23H18N2O/c26-23(20-12-10-19(11-13-20)18-6-2-1-3-7-18)22-9-5-4-8-21(22)16-25-15-14-24-17-25/h1-15,17H,16H2
InChIKeyQSXXNXFEELWMJA-UHFFFAOYSA-N
XLogP4.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone?
The IUPAC name of [2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone (CID 16747939) is [2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone?
The canonical SMILES for [2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)c1ccccc1Cn1ccnc1.
What is the InChIKey of [2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone?
The InChIKey is QSXXNXFEELWMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c26-23(20-12-10-19(11-13-20)18-6-2-1-3-7-18)22-9-5-4-8-21(22)16-25-15-14-24-17-25/h1-15,17H,16H2.
What are the key properties of [2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone?
[2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone has a molecular weight of 338.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(imidazol-1-ylmethyl)phenyl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 16747939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).