2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone

C20H15N3O — CID 795004

IUPAC2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone
SMILESO=C(Cn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15N3O/c24-20(14-23-19-9-5-4-8-18(19)21-22-23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyRKXVLKARTSYWEU-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.98
Rot. Bonds4

About 2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone

2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone (PubChem CID 795004) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone
PubChem CID795004
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone
SMILESO=C(Cn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H15N3O/c24-20(14-23-19-9-5-4-8-18(19)21-22-23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyRKXVLKARTSYWEU-UHFFFAOYSA-N
XLogP3.98
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone (CID 795004) is 2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone is O=C(Cn1nnc2ccccc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone?
The InChIKey is RKXVLKARTSYWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-20(14-23-19-9-5-4-8-18(19)21-22-23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone?
2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone has a molecular weight of 313.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone is sourced from PubChem (CID 795004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).