5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol

C22H16N4O — CID 135985610

IUPAC5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol
SMILESNc1ccc2[nH]c(O)c(C(=C3N=c4ccccc4=N3)c3ccccc3)c2c1
InChIInChI=1S/C22H16N4O/c23-14-10-11-16-15(12-14)20(22(27)26-16)19(13-6-2-1-3-7-13)21-24-17-8-4-5-9-18(17)25-21/h1-12,26-27H,23H2
InChIKeyAXTZADJLGYWFCU-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.13
Rot. Bonds2

About 5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol

5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol (PubChem CID 135985610) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol
PubChem CID135985610
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol
SMILESNc1ccc2[nH]c(O)c(C(=C3N=c4ccccc4=N3)c3ccccc3)c2c1
InChIInChI=1S/C22H16N4O/c23-14-10-11-16-15(12-14)20(22(27)26-16)19(13-6-2-1-3-7-13)21-24-17-8-4-5-9-18(17)25-21/h1-12,26-27H,23H2
InChIKeyAXTZADJLGYWFCU-UHFFFAOYSA-N
XLogP3.13
TPSA86.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol 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 5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol?
The IUPAC name of 5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol (CID 135985610) is 5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol.
What is the SMILES notation for 5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol?
The canonical SMILES for 5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol is Nc1ccc2[nH]c(O)c(C(=C3N=c4ccccc4=N3)c3ccccc3)c2c1.
What is the InChIKey of 5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol?
The InChIKey is AXTZADJLGYWFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c23-14-10-11-16-15(12-14)20(22(27)26-16)19(13-6-2-1-3-7-13)21-24-17-8-4-5-9-18(17)25-21/h1-12,26-27H,23H2.
What are the key properties of 5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol?
5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol has a molecular weight of 352.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol is sourced from PubChem (CID 135985610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).