2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine

C26H20N6O — CID 3091496

IUPAC2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccc(Oc4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1
InChIInChI=1S/C26H20N6O/c27-17-5-11-21-23(13-17)31-25(29-21)15-1-7-19(8-2-15)33-20-9-3-16(4-10-20)26-30-22-12-6-18(28)14-24(22)32-26/h1-14H,27-28H2,(H,29,31)(H,30,32)
InChIKeyGLCPSWHSQFDBFV-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.73
Rot. Bonds4

About 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine

2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine (PubChem CID 3091496) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine
PubChem CID3091496
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC Name2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3ccc(Oc4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1
InChIInChI=1S/C26H20N6O/c27-17-5-11-21-23(13-17)31-25(29-21)15-1-7-19(8-2-15)33-20-9-3-16(4-10-20)26-30-22-12-6-18(28)14-24(22)32-26/h1-14H,27-28H2,(H,29,31)(H,30,32)
InChIKeyGLCPSWHSQFDBFV-UHFFFAOYSA-N
XLogP5.73
TPSA118.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine (CID 3091496) is 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3ccc(Oc4ccc(-c5nc6ccc(N)cc6[nH]5)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine?
The InChIKey is GLCPSWHSQFDBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c27-17-5-11-21-23(13-17)31-25(29-21)15-1-7-19(8-2-15)33-20-9-3-16(4-10-20)26-30-22-12-6-18(28)14-24(22)32-26/h1-14H,27-28H2,(H,29,31)(H,30,32).
What are the key properties of 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine?
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine has a molecular weight of 432.49 g/mol, XLogP of 5.73, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenoxy]phenyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 3091496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).