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

C13H9N3O3 — CID 135696400

IUPAC4-(1H-benzimidazol-2-yl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(-c2nc3ccccc3[nH]2)ccc1O
InChIInChI=1S/C13H9N3O3/c17-12-6-5-8(7-11(12)16(18)19)13-14-9-3-1-2-4-10(9)15-13/h1-7,17H,(H,14,15)
InChIKeyLICCFQBQLLJVAT-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.84
Rot. Bonds2

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

4-(1H-benzimidazol-2-yl)-2-nitrophenol (PubChem CID 135696400) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-2-nitrophenol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-2-nitrophenol
PubChem CID135696400
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name4-(1H-benzimidazol-2-yl)-2-nitrophenol
SMILESO=[N+]([O-])c1cc(-c2nc3ccccc3[nH]2)ccc1O
InChIInChI=1S/C13H9N3O3/c17-12-6-5-8(7-11(12)16(18)19)13-14-9-3-1-2-4-10(9)15-13/h1-7,17H,(H,14,15)
InChIKeyLICCFQBQLLJVAT-UHFFFAOYSA-N
XLogP2.84
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole
CID 139201535
2-(3-nitro-4-propoxyphenyl)-1H-benzimidazole
CID 110538737
4-(1H-benzimidazol-2-yl)-2-bromophenol
CID 159596714
2-[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]-1H-benzimidazole
CID 168555541
5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid
CID 136510486
3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one
CID 135725609
disilver;tetrakis(2-(3-nitro-4-prop-2-enoxyphenyl)-1H-benzimidazole);dinitrate
CID 139201536
2-[5-(1H-benzimidazol-2-yl)-2-nitrophenyl]-N,N-dimethylethanamine
CID 57087221
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide
CID 17093072
2-[3-nitro-4-[3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole
CID 168553604
2-nitro-4-phenylphenol
CID 13447
2-(3-chloro-5-nitrophenyl)-1H-benzimidazole
CID 168553569

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-2-nitrophenol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-2-nitrophenol (CID 135696400) is 4-(1H-benzimidazol-2-yl)-2-nitrophenol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-2-nitrophenol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-2-nitrophenol is O=[N+]([O-])c1cc(-c2nc3ccccc3[nH]2)ccc1O.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-2-nitrophenol?
The InChIKey is LICCFQBQLLJVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-12-6-5-8(7-11(12)16(18)19)13-14-9-3-1-2-4-10(9)15-13/h1-7,17H,(H,14,15).
What are the key properties of 4-(1H-benzimidazol-2-yl)-2-nitrophenol?
4-(1H-benzimidazol-2-yl)-2-nitrophenol has a molecular weight of 255.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-2-nitrophenol is sourced from PubChem (CID 135696400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).