1-(4-imidazol-1-ylphenyl)benzotriazole

C15H11N5 — CID 71124200

IUPAC1-(4-imidazol-1-ylphenyl)benzotriazole
SMILESc1ccc2c(c1)nnn2-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H11N5/c1-2-4-15-14(3-1)17-18-20(15)13-7-5-12(6-8-13)19-10-9-16-11-19/h1-11H
InChIKeyBXVUKRDHYHUFBN-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.61
Rot. Bonds2

About 1-(4-imidazol-1-ylphenyl)benzotriazole

1-(4-imidazol-1-ylphenyl)benzotriazole (PubChem CID 71124200) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)benzotriazole.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)benzotriazole
PubChem CID71124200
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name1-(4-imidazol-1-ylphenyl)benzotriazole
SMILESc1ccc2c(c1)nnn2-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H11N5/c1-2-4-15-14(3-1)17-18-20(15)13-7-5-12(6-8-13)19-10-9-16-11-19/h1-11H
InChIKeyBXVUKRDHYHUFBN-UHFFFAOYSA-N
XLogP2.61
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)benzotriazole?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)benzotriazole (CID 71124200) is 1-(4-imidazol-1-ylphenyl)benzotriazole.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)benzotriazole?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)benzotriazole is c1ccc2c(c1)nnn2-c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)benzotriazole?
The InChIKey is BXVUKRDHYHUFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c1-2-4-15-14(3-1)17-18-20(15)13-7-5-12(6-8-13)19-10-9-16-11-19/h1-11H.
What are the key properties of 1-(4-imidazol-1-ylphenyl)benzotriazole?
1-(4-imidazol-1-ylphenyl)benzotriazole has a molecular weight of 261.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)benzotriazole is sourced from PubChem (CID 71124200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).