4-(benzimidazol-1-yl)-2H-benzotriazole

C13H9N5 — CID 139651925

IUPAC4-(benzimidazol-1-yl)-2H-benzotriazole
SMILESc1cc(-n2cnc3ccccc32)c2n[nH]nc2c1
InChIInChI=1S/C13H9N5/c1-2-6-11-9(4-1)14-8-18(11)12-7-3-5-10-13(12)16-17-15-10/h1-8H,(H,15,16,17)
InChIKeyQKPBXPBMKKBLNC-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.30
Rot. Bonds1

About 4-(benzimidazol-1-yl)-2H-benzotriazole

4-(benzimidazol-1-yl)-2H-benzotriazole (PubChem CID 139651925) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-2H-benzotriazole.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-2H-benzotriazole
PubChem CID139651925
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name4-(benzimidazol-1-yl)-2H-benzotriazole
SMILESc1cc(-n2cnc3ccccc32)c2n[nH]nc2c1
InChIInChI=1S/C13H9N5/c1-2-6-11-9(4-1)14-8-18(11)12-7-3-5-10-13(12)16-17-15-10/h1-8H,(H,15,16,17)
InChIKeyQKPBXPBMKKBLNC-UHFFFAOYSA-N
XLogP2.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(benzimidazol-1-yl)naphthalen-2-ol
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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-2H-benzotriazole?
The IUPAC name of 4-(benzimidazol-1-yl)-2H-benzotriazole (CID 139651925) is 4-(benzimidazol-1-yl)-2H-benzotriazole.
What is the SMILES notation for 4-(benzimidazol-1-yl)-2H-benzotriazole?
The canonical SMILES for 4-(benzimidazol-1-yl)-2H-benzotriazole is c1cc(-n2cnc3ccccc32)c2n[nH]nc2c1.
What is the InChIKey of 4-(benzimidazol-1-yl)-2H-benzotriazole?
The InChIKey is QKPBXPBMKKBLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c1-2-6-11-9(4-1)14-8-18(11)12-7-3-5-10-13(12)16-17-15-10/h1-8H,(H,15,16,17).
What are the key properties of 4-(benzimidazol-1-yl)-2H-benzotriazole?
4-(benzimidazol-1-yl)-2H-benzotriazole has a molecular weight of 235.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-2H-benzotriazole is sourced from PubChem (CID 139651925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).