bis[2-(1H-imidazol-2-yl)phenyl]methanone

C19H14N4O — CID 57133504

IUPACbis[2-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ncc[nH]1)c1ccccc1-c1ncc[nH]1
InChIInChI=1S/C19H14N4O/c24-17(13-5-1-3-7-15(13)18-20-9-10-21-18)14-6-2-4-8-16(14)19-22-11-12-23-19/h1-12H,(H,20,21)(H,22,23)
InChIKeySUKCURXSQDQKEN-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.70
Rot. Bonds4

About bis[2-(1H-imidazol-2-yl)phenyl]methanone

bis[2-(1H-imidazol-2-yl)phenyl]methanone (PubChem CID 57133504) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is bis[2-(1H-imidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Namebis[2-(1H-imidazol-2-yl)phenyl]methanone
PubChem CID57133504
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Namebis[2-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1ncc[nH]1)c1ccccc1-c1ncc[nH]1
InChIInChI=1S/C19H14N4O/c24-17(13-5-1-3-7-15(13)18-20-9-10-21-18)14-6-2-4-8-16(14)19-22-11-12-23-19/h1-12H,(H,20,21)(H,22,23)
InChIKeySUKCURXSQDQKEN-UHFFFAOYSA-N
XLogP3.70
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis[2-(1H-imidazol-2-yl)phenyl]methanone?
The IUPAC name of bis[2-(1H-imidazol-2-yl)phenyl]methanone (CID 57133504) is bis[2-(1H-imidazol-2-yl)phenyl]methanone.
What is the SMILES notation for bis[2-(1H-imidazol-2-yl)phenyl]methanone?
The canonical SMILES for bis[2-(1H-imidazol-2-yl)phenyl]methanone is O=C(c1ccccc1-c1ncc[nH]1)c1ccccc1-c1ncc[nH]1.
What is the InChIKey of bis[2-(1H-imidazol-2-yl)phenyl]methanone?
The InChIKey is SUKCURXSQDQKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-17(13-5-1-3-7-15(13)18-20-9-10-21-18)14-6-2-4-8-16(14)19-22-11-12-23-19/h1-12H,(H,20,21)(H,22,23).
What are the key properties of bis[2-(1H-imidazol-2-yl)phenyl]methanone?
bis[2-(1H-imidazol-2-yl)phenyl]methanone has a molecular weight of 314.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(1H-imidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 57133504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).