2-(benzotriazol-2-yl)-1-phenylethanone

C14H11N3O — CID 4638249

IUPAC2-(benzotriazol-2-yl)-1-phenylethanone
SMILESO=C(Cn1nc2ccccc2n1)c1ccccc1
InChIInChI=1S/C14H11N3O/c18-14(11-6-2-1-3-7-11)10-17-15-12-8-4-5-9-13(12)16-17/h1-9H,10H2
InChIKeyAIIOEJLOSBGWJE-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.31
Rot. Bonds3

About 2-(benzotriazol-2-yl)-1-phenylethanone

2-(benzotriazol-2-yl)-1-phenylethanone (PubChem CID 4638249) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-1-phenylethanone
PubChem CID4638249
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(benzotriazol-2-yl)-1-phenylethanone
SMILESO=C(Cn1nc2ccccc2n1)c1ccccc1
InChIInChI=1S/C14H11N3O/c18-14(11-6-2-1-3-7-11)10-17-15-12-8-4-5-9-13(12)16-17/h1-9H,10H2
InChIKeyAIIOEJLOSBGWJE-UHFFFAOYSA-N
XLogP2.31
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(benzotriazol-2-yl)-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-2H-benzo[d][1,2,3]triazole-4-carboxamide
CID 44549505
2-(1H-1,2,3-Benzotriazol-1-yl)-1-phenylethan-1-one
CID 761839
2-Benzotriazol-1-yl-1-p-tolyl-ethanone
CID 761841
1-Methyl-3-(2-oxo-2-phenylethyl)-1H-1,2,3-benzotriazol-1-ium bromide
CID 11759359
2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one
CID 795004
1-(4-Aminophenyl)-2-(benzotriazol-1-yl)ethanone
CID 15959244
1-Azolyl-4-phenyl-2-butanone, 14
CID 44604203
1-Azolyl-4-phenyl-2-butanone, 13
CID 57339875
3-(Benzotriazol-1-yl)-1-phenylpropan-1-one
CID 3759222
(E)-1-phenyl-3-(2-phenyltriazol-4-yl)prop-2-en-1-one
CID 15684752
2-(Benzotriazol-2-yl)-1-(4-nitrophenyl)ethanone
CID 23738761
(E)-2-methyl-1-phenyl-3-(2-phenyltriazol-4-yl)prop-2-en-1-one
CID 162660950

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-1-phenylethanone?
The IUPAC name of 2-(benzotriazol-2-yl)-1-phenylethanone (CID 4638249) is 2-(benzotriazol-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(benzotriazol-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(benzotriazol-2-yl)-1-phenylethanone is O=C(Cn1nc2ccccc2n1)c1ccccc1.
What is the InChIKey of 2-(benzotriazol-2-yl)-1-phenylethanone?
The InChIKey is AIIOEJLOSBGWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14(11-6-2-1-3-7-11)10-17-15-12-8-4-5-9-13(12)16-17/h1-9H,10H2.
What are the key properties of 2-(benzotriazol-2-yl)-1-phenylethanone?
2-(benzotriazol-2-yl)-1-phenylethanone has a molecular weight of 237.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-1-phenylethanone is sourced from PubChem (CID 4638249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).