4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol

C13H9N3O3 — CID 139224611

IUPAC4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol
SMILESO=Nc1cc(-c2nc3ccccc3[nH]2)c(O)cc1O
InChIInChI=1S/C13H9N3O3/c17-11-6-12(18)10(16-19)5-7(11)13-14-8-3-1-2-4-9(8)15-13/h1-6,17-18H,(H,14,15)
InChIKeyDEZCVNZFHAMOEF-UHFFFAOYSA-N
MW255.23 g/mol
LogP3.04
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol

4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol (PubChem CID 139224611) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol
PubChem CID139224611
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol
SMILESO=Nc1cc(-c2nc3ccccc3[nH]2)c(O)cc1O
InChIInChI=1S/C13H9N3O3/c17-11-6-12(18)10(16-19)5-7(11)13-14-8-3-1-2-4-9(8)15-13/h1-6,17-18H,(H,14,15)
InChIKeyDEZCVNZFHAMOEF-UHFFFAOYSA-N
XLogP3.04
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2'-Hydroxyphenyl)benzimidazole
CID 18075
Cra_1144
CID 1506
4-{(E)-[2-(1H-benzimidazol-2-yl)hydrazinylidene]methyl}-6-nitrobenzene-1,3-diol
CID 135497940
Benzimidazole derivative 3
CID 5268800
2-(2-Hydroxy-5-nitro-phenyl)-1H-benzoimidazole-5-carboxamidine
CID 135407736
2-(2-hydroxy-phenyl)-3H-benzoimidazole-5-carboxamidine
CID 1505
4-(1H-benzimidazol-2-yl)phenol
CID 675624
2-Phenyl-1H-benzo[d]imidazol-5-ol
CID 802112
4-(6-methyl-1H-1,3-benzodiazol-2-yl)phenol
CID 924755
{amino[2-(2-hydroxy-5-nitrophenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
CID 135559079
4-[(E)-{[2-(1H-benzimidazol-2-yl)phenyl]imino}methyl]benzene-1,3-diol
CID 917111
5-(6-hydroxy-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 71681237

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol (CID 139224611) is 4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol is O=Nc1cc(-c2nc3ccccc3[nH]2)c(O)cc1O.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol?
The InChIKey is DEZCVNZFHAMOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-11-6-12(18)10(16-19)5-7(11)13-14-8-3-1-2-4-9(8)15-13/h1-6,17-18H,(H,14,15).
What are the key properties of 4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol?
4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol has a molecular weight of 255.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-6-nitrosobenzene-1,3-diol is sourced from PubChem (CID 139224611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).