5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol

C26H18N4OS — CID 137252031

IUPAC5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol
SMILESNc1ccccc1-c1nc2ccc(-c3ccc(-c4nc5ccccc5s4)c(O)c3)cc2[nH]1
InChIInChI=1S/C26H18N4OS/c27-19-6-2-1-5-17(19)25-28-20-12-10-15(13-22(20)29-25)16-9-11-18(23(31)14-16)26-30-21-7-3-4-8-24(21)32-26/h1-14,31H,27H2,(H,28,29)
InChIKeyYOXGCRMQDWWLRV-UHFFFAOYSA-N
MW434.52 g/mol
LogP6.46
Rot. Bonds3

About 5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol

5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol (PubChem CID 137252031) has the molecular formula C26H18N4OS and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol
PubChem CID137252031
Molecular FormulaC26H18N4OS
Molecular Weight434.52 g/mol
Exact Mass434.12
IUPAC Name5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol
SMILESNc1ccccc1-c1nc2ccc(-c3ccc(-c4nc5ccccc5s4)c(O)c3)cc2[nH]1
InChIInChI=1S/C26H18N4OS/c27-19-6-2-1-5-17(19)25-28-20-12-10-15(13-22(20)29-25)16-9-11-18(23(31)14-16)26-30-21-7-3-4-8-24(21)32-26/h1-14,31H,27H2,(H,28,29)
InChIKeyYOXGCRMQDWWLRV-UHFFFAOYSA-N
XLogP6.46
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[2-(2-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
CID 159684416
2-(2-aminophenyl)-1,3-benzothiazol-6-ol
CID 149215571
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
2-[6-(1H-benzimidazol-2-yl)-2H-benzotriazol-5-yl]-1,3-benzothiazole
CID 91160562
2-amino-6-(1,3-benzothiazol-2-yl)phenol
CID 135623123
1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
CID 174888047
4-[3-(1,3-benzothiazol-2-yl)-2-hydroxyphenyl]benzene-1,2-diol
CID 176656530
4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol
CID 141250779
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]benzene-1,2-diamine
CID 59071986
2-[4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide
CID 71009253

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol (CID 137252031) is 5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol is Nc1ccccc1-c1nc2ccc(-c3ccc(-c4nc5ccccc5s4)c(O)c3)cc2[nH]1.
What is the InChIKey of 5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol?
The InChIKey is YOXGCRMQDWWLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4OS/c27-19-6-2-1-5-17(19)25-28-20-12-10-15(13-22(20)29-25)16-9-11-18(23(31)14-16)26-30-21-7-3-4-8-24(21)32-26/h1-14,31H,27H2,(H,28,29).
What are the key properties of 5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol?
5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol has a molecular weight of 434.52 g/mol, XLogP of 6.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminophenyl)-3H-benzimidazol-5-yl]-2-(1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 137252031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).