5-(1H-imidazol-2-yl)-2H-benzotriazole

C9H7N5 — CID 90983409

IUPAC5-(1H-imidazol-2-yl)-2H-benzotriazole
SMILESc1c[nH]c(-c2ccc3n[nH]nc3c2)n1
InChIInChI=1S/C9H7N5/c1-2-7-8(13-14-12-7)5-6(1)9-10-3-4-11-9/h1-5H,(H,10,11)(H,12,13,14)
InChIKeyOIFMWRIOPDYISS-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.35
Rot. Bonds1

About 5-(1H-imidazol-2-yl)-2H-benzotriazole

5-(1H-imidazol-2-yl)-2H-benzotriazole (PubChem CID 90983409) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-2H-benzotriazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-2H-benzotriazole
PubChem CID90983409
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name5-(1H-imidazol-2-yl)-2H-benzotriazole
SMILESc1c[nH]c(-c2ccc3n[nH]nc3c2)n1
InChIInChI=1S/C9H7N5/c1-2-7-8(13-14-12-7)5-6(1)9-10-3-4-11-9/h1-5H,(H,10,11)(H,12,13,14)
InChIKeyOIFMWRIOPDYISS-UHFFFAOYSA-N
XLogP1.35
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-2H-benzotriazole?
The IUPAC name of 5-(1H-imidazol-2-yl)-2H-benzotriazole (CID 90983409) is 5-(1H-imidazol-2-yl)-2H-benzotriazole.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-2H-benzotriazole?
The canonical SMILES for 5-(1H-imidazol-2-yl)-2H-benzotriazole is c1c[nH]c(-c2ccc3n[nH]nc3c2)n1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-2H-benzotriazole?
The InChIKey is OIFMWRIOPDYISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-2-7-8(13-14-12-7)5-6(1)9-10-3-4-11-9/h1-5H,(H,10,11)(H,12,13,14).
What are the key properties of 5-(1H-imidazol-2-yl)-2H-benzotriazole?
5-(1H-imidazol-2-yl)-2H-benzotriazole has a molecular weight of 185.19 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-2H-benzotriazole is sourced from PubChem (CID 90983409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).