1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone

C24H18BrN3O2 — CID 135883774

IUPAC1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone
SMILESO=C(Cn1nc(/C=C/c2ccccc2)nc1-c1ccccc1O)c1ccc(Br)cc1
InChIInChI=1S/C24H18BrN3O2/c25-19-13-11-18(12-14-19)22(30)16-28-24(20-8-4-5-9-21(20)29)26-23(27-28)15-10-17-6-2-1-3-7-17/h1-15,29H,16H2/b15-10+
InChIKeyNROCQRNHJBSYTD-XNTDXEJSSA-N
MW460.33 g/mol
LogP5.47
Rot. Bonds6

About 1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone

1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone (PubChem CID 135883774) has the molecular formula C24H18BrN3O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone
PubChem CID135883774
Molecular FormulaC24H18BrN3O2
Molecular Weight460.33 g/mol
Exact Mass459.06
IUPAC Name1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone
SMILESO=C(Cn1nc(/C=C/c2ccccc2)nc1-c1ccccc1O)c1ccc(Br)cc1
InChIInChI=1S/C24H18BrN3O2/c25-19-13-11-18(12-14-19)22(30)16-28-24(20-8-4-5-9-21(20)29)26-23(27-28)15-10-17-6-2-1-3-7-17/h1-15,29H,16H2/b15-10+
InChIKeyNROCQRNHJBSYTD-XNTDXEJSSA-N
XLogP5.47
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone (CID 135883774) is 1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone is O=C(Cn1nc(/C=C/c2ccccc2)nc1-c1ccccc1O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone?
The InChIKey is NROCQRNHJBSYTD-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H18BrN3O2/c25-19-13-11-18(12-14-19)22(30)16-28-24(20-8-4-5-9-21(20)29)26-23(27-28)15-10-17-6-2-1-3-7-17/h1-15,29H,16H2/b15-10+.
What are the key properties of 1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone?
1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone has a molecular weight of 460.33 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[5-(2-hydroxyphenyl)-3-[(E)-2-phenylethenyl]-1,2,4-triazol-1-yl]ethanone is sourced from PubChem (CID 135883774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).