2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone

C13H11N7O2 — CID 157286862

IUPAC2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone
SMILESO=C(n1ccnc1)n1ccnc1.Oc1cccc2n[nH]nc12
InChIInChI=1S/C7H6N4O.C6H5N3O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11;10-5-3-1-2-4-6(5)8-9-7-4/h1-6H;1-3,10H,(H,7,8,9)
InChIKeyBAIIRPYICDXMEZ-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.26
Rot. Bonds

About 2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone

2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone (PubChem CID 157286862) has the molecular formula C13H11N7O2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone.

Molecular Properties

Compound Name2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone
PubChem CID157286862
Molecular FormulaC13H11N7O2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone
SMILESO=C(n1ccnc1)n1ccnc1.Oc1cccc2n[nH]nc12
InChIInChI=1S/C7H6N4O.C6H5N3O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11;10-5-3-1-2-4-6(5)8-9-7-4/h1-6H;1-3,10H,(H,7,8,9)
InChIKeyBAIIRPYICDXMEZ-UHFFFAOYSA-N
XLogP1.26
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 175461289
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di(imidazol-1-yl)methanone;pyrrol-1-yl(1,2,4-triazol-4-yl)methanone
CID 160726902
N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
CID 114332839
2H-benzotriazol-4-yl-methyl-oxoazanium
CID 142034313
di(imidazol-1-yl)methanone;1,2-oxazole
CID 172682616
azane;2H-benzotriazole-4-carboxylic acid;silver
CID 173422374
copper bis(2H-benzotriazole-4-carboxylate)
CID 70170962
acridin-4-yl(imidazol-1-yl)methanone
CID 10849851
imidazol-1-yl(1H-indazol-3-yl)methanone
CID 10560470
4-(2H-benzotriazol-4-yloxy)-2H-benzotriazole
CID 66783626

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone?
The IUPAC name of 2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone (CID 157286862) is 2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone.
What is the SMILES notation for 2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone?
The canonical SMILES for 2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone is O=C(n1ccnc1)n1ccnc1.Oc1cccc2n[nH]nc12.
What is the InChIKey of 2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone?
The InChIKey is BAIIRPYICDXMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O.C6H5N3O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11;10-5-3-1-2-4-6(5)8-9-7-4/h1-6H;1-3,10H,(H,7,8,9).
What are the key properties of 2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone?
2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone has a molecular weight of 297.28 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-4-ol;di(imidazol-1-yl)methanone is sourced from PubChem (CID 157286862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).