1-benzhydrylbenzotriazole-5-carboxylic acid

C20H15N3O2 — CID 10449244

IUPAC1-benzhydrylbenzotriazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nnn2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15N3O2/c24-20(25)16-11-12-18-17(13-16)21-22-23(18)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,24,25)
InChIKeyGPESISAKWXZCIK-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.77
Rot. Bonds4

About 1-benzhydrylbenzotriazole-5-carboxylic acid

1-benzhydrylbenzotriazole-5-carboxylic acid (PubChem CID 10449244) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-benzhydrylbenzotriazole-5-carboxylic acid.

Molecular Properties

Compound Name1-benzhydrylbenzotriazole-5-carboxylic acid
PubChem CID10449244
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name1-benzhydrylbenzotriazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nnn2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15N3O2/c24-20(25)16-11-12-18-17(13-16)21-22-23(18)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,24,25)
InChIKeyGPESISAKWXZCIK-UHFFFAOYSA-N
XLogP3.77
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylbenzotriazole-5-carboxylic acid?
The IUPAC name of 1-benzhydrylbenzotriazole-5-carboxylic acid (CID 10449244) is 1-benzhydrylbenzotriazole-5-carboxylic acid.
What is the SMILES notation for 1-benzhydrylbenzotriazole-5-carboxylic acid?
The canonical SMILES for 1-benzhydrylbenzotriazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nnn2C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydrylbenzotriazole-5-carboxylic acid?
The InChIKey is GPESISAKWXZCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-20(25)16-11-12-18-17(13-16)21-22-23(18)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H,24,25).
What are the key properties of 1-benzhydrylbenzotriazole-5-carboxylic acid?
1-benzhydrylbenzotriazole-5-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylbenzotriazole-5-carboxylic acid is sourced from PubChem (CID 10449244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).