[2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium

C14H15N4O2+ — CID 143261168

IUPAC[2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium
SMILESCO[NH2+]c1ccc2nc(-c3ccc(N)cc3)n(O)c2c1
InChIInChI=1S/C14H14N4O2/c1-20-17-11-6-7-12-13(8-11)18(19)14(16-12)9-2-4-10(15)5-3-9/h2-8,17,19H,15H2,1H3/p+1
InChIKeyUZWKRJFVXRYFFC-UHFFFAOYSA-O
MW271.30 g/mol
LogP1.28
Rot. Bonds3

About [2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium

[2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium (PubChem CID 143261168) has the molecular formula C14H15N4O2+ and a molecular weight of 271.30 g/mol. Its IUPAC name is [2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium.

Molecular Properties

Compound Name[2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium
PubChem CID143261168
Molecular FormulaC14H15N4O2+
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name[2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium
SMILESCO[NH2+]c1ccc2nc(-c3ccc(N)cc3)n(O)c2c1
InChIInChI=1S/C14H14N4O2/c1-20-17-11-6-7-12-13(8-11)18(19)14(16-12)9-2-4-10(15)5-3-9/h2-8,17,19H,15H2,1H3/p+1
InChIKeyUZWKRJFVXRYFFC-UHFFFAOYSA-O
XLogP1.28
TPSA89.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-ethyl-1-hydroxybenzimidazol-2-yl)aniline
CID 91426634
4-(1,6-dimethylbenzimidazol-2-yl)aniline
CID 84628854
3-hydroxy-2-(4-methylphenyl)-N-phosphanylbenzimidazol-5-amine
CID 143260939
6-ethyl-5-[3-hydroxy-2-(4-methylphenyl)benzimidazol-5-yl]pyrimidine-2,4-diamine
CID 11314395
(E)-N-[4-(6-amino-1-hydroxybenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 89209710
1-hydroxy-2-(4-methylphenyl)-6-nitrobenzimidazole
CID 59754379
5-[2-(4-chlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine
CID 11417648
1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethanone
CID 10444910
6-fluoro-1-hydroxy-2-pyridin-4-ylbenzimidazole
CID 124908622
3-hydroxy-2-phenylbenzimidazole-5-carboxylic acid
CID 10083635
5-[2-(3,4-dichlorophenyl)-3-hydroxybenzimidazol-5-yl]-6-ethylpyrimidine-2,4-diamine
CID 11452730
N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
CID 91378305

Frequently Asked Questions

What is the IUPAC name of [2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium?
The IUPAC name of [2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium (CID 143261168) is [2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium.
What is the SMILES notation for [2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium?
The canonical SMILES for [2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium is CO[NH2+]c1ccc2nc(-c3ccc(N)cc3)n(O)c2c1.
What is the InChIKey of [2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium?
The InChIKey is UZWKRJFVXRYFFC-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14N4O2/c1-20-17-11-6-7-12-13(8-11)18(19)14(16-12)9-2-4-10(15)5-3-9/h2-8,17,19H,15H2,1H3/p+1.
What are the key properties of [2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium?
[2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium has a molecular weight of 271.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminophenyl)-3-hydroxybenzimidazol-5-yl]-methoxyazanium is sourced from PubChem (CID 143261168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).