6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide

C26H25N5O3 — CID 166630231

IUPAC6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide
SMILESO=C(CCCCCOc1cccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)c1)NO
InChIInChI=1S/C26H25N5O3/c32-24(31-33)11-2-1-5-14-34-19-8-6-7-17(15-19)25-29-22-13-12-18(16-23(22)30-25)26-27-20-9-3-4-10-21(20)28-26/h3-4,6-10,12-13,15-16,33H,1-2,5,11,14H2,(H,27,28)(H,29,30)(H,31,32)
InChIKeyUSOAUSIBPGPBGY-UHFFFAOYSA-N
MW455.52 g/mol
LogP5.22
Rot. Bonds9

About 6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide

6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide (PubChem CID 166630231) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide
PubChem CID166630231
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide
SMILESO=C(CCCCCOc1cccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)c1)NO
InChIInChI=1S/C26H25N5O3/c32-24(31-33)11-2-1-5-14-34-19-8-6-7-17(15-19)25-29-22-13-12-18(16-23(22)30-25)26-27-20-9-3-4-10-21(20)28-26/h3-4,6-10,12-13,15-16,33H,1-2,5,11,14H2,(H,27,28)(H,29,30)(H,31,32)
InChIKeyUSOAUSIBPGPBGY-UHFFFAOYSA-N
XLogP5.22
TPSA115.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 55.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide?
The IUPAC name of 6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide (CID 166630231) is 6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide?
The canonical SMILES for 6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide is O=C(CCCCCOc1cccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)c1)NO.
What is the InChIKey of 6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide?
The InChIKey is USOAUSIBPGPBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c32-24(31-33)11-2-1-5-14-34-19-8-6-7-17(15-19)25-29-22-13-12-18(16-23(22)30-25)26-27-20-9-3-4-10-21(20)28-26/h3-4,6-10,12-13,15-16,33H,1-2,5,11,14H2,(H,27,28)(H,29,30)(H,31,32).
What are the key properties of 6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide?
6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide has a molecular weight of 455.52 g/mol, XLogP of 5.22, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide is sourced from PubChem (CID 166630231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).