N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine

C13H11N3O2 — CID 123138623

IUPACN,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine
SMILESON(O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C13H11N3O2/c17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8,17-18H,(H,14,15)
InChIKeyIPAVETKENYCKTQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.81
Rot. Bonds2

About N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine

N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine (PubChem CID 123138623) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine
PubChem CID123138623
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine
SMILESON(O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C13H11N3O2/c17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8,17-18H,(H,14,15)
InChIKeyIPAVETKENYCKTQ-UHFFFAOYSA-N
XLogP2.81
TPSA72.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
2-phenyl-3H-benzimidazole-5-thiol
CID 57216404
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
(2-phenyl-3H-benzimidazol-5-yl) acetate
CID 57208111
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
4-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]-N-phenylbenzamide
CID 141334498
6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride
CID 14518404
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine?
The IUPAC name of N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine (CID 123138623) is N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine?
The canonical SMILES for N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine is ON(O)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine?
The InChIKey is IPAVETKENYCKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8,17-18H,(H,14,15).
What are the key properties of N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine?
N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine has a molecular weight of 241.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 123138623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).