2-(benzotriazol-1-yl)-1,2-diphenylethanone

C20H15N3O — CID 2912246

IUPAC2-(benzotriazol-1-yl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C20H15N3O/c24-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)23-18-14-8-7-13-17(18)21-22-23/h1-14,19H
InChIKeyDVVYSUCBMDZKKF-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.90
Rot. Bonds4

About 2-(benzotriazol-1-yl)-1,2-diphenylethanone

2-(benzotriazol-1-yl)-1,2-diphenylethanone (PubChem CID 2912246) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1,2-diphenylethanone
PubChem CID2912246
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name2-(benzotriazol-1-yl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C20H15N3O/c24-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)23-18-14-8-7-13-17(18)21-22-23/h1-14,19H
InChIKeyDVVYSUCBMDZKKF-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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)-1,2-diphenylethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1,2-diphenylethanone (CID 2912246) is 2-(benzotriazol-1-yl)-1,2-diphenylethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1,2-diphenylethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1,2-diphenylethanone is O=C(c1ccccc1)C(c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-1,2-diphenylethanone?
The InChIKey is DVVYSUCBMDZKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-20(16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)23-18-14-8-7-13-17(18)21-22-23/h1-14,19H.
What are the key properties of 2-(benzotriazol-1-yl)-1,2-diphenylethanone?
2-(benzotriazol-1-yl)-1,2-diphenylethanone has a molecular weight of 313.36 g/mol, XLogP of 3.90, 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)-1,2-diphenylethanone is sourced from PubChem (CID 2912246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).