[2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone

C20H12N6O2 — CID 3422958

IUPAC[2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone
SMILESO=C(c1ccccc1C(=O)n1nnc2ccccc21)n1nnc2ccccc21
InChIInChI=1S/C20H12N6O2/c27-19(25-17-11-5-3-9-15(17)21-23-25)13-7-1-2-8-14(13)20(28)26-18-12-6-4-10-16(18)22-24-26/h1-12H
InChIKeyRMHBKCOUVXJKKR-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.55
Rot. Bonds2

About [2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone

[2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone (PubChem CID 3422958) has the molecular formula C20H12N6O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is [2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone.

Molecular Properties

Compound Name[2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone
PubChem CID3422958
Molecular FormulaC20H12N6O2
Molecular Weight368.36 g/mol
Exact Mass368.10
IUPAC Name[2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone
SMILESO=C(c1ccccc1C(=O)n1nnc2ccccc21)n1nnc2ccccc21
InChIInChI=1S/C20H12N6O2/c27-19(25-17-11-5-3-9-15(17)21-23-25)13-7-1-2-8-14(13)20(28)26-18-12-6-4-10-16(18)22-24-26/h1-12H
InChIKeyRMHBKCOUVXJKKR-UHFFFAOYSA-N
XLogP2.55
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone?
The IUPAC name of [2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone (CID 3422958) is [2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone.
What is the SMILES notation for [2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone?
The canonical SMILES for [2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone is O=C(c1ccccc1C(=O)n1nnc2ccccc21)n1nnc2ccccc21.
What is the InChIKey of [2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone?
The InChIKey is RMHBKCOUVXJKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N6O2/c27-19(25-17-11-5-3-9-15(17)21-23-25)13-7-1-2-8-14(13)20(28)26-18-12-6-4-10-16(18)22-24-26/h1-12H.
What are the key properties of [2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone?
[2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone has a molecular weight of 368.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzotriazole-1-carbonyl)phenyl]-(benzotriazol-1-yl)methanone is sourced from PubChem (CID 3422958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).