8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide

C28H29N5O3 — CID 166636207

IUPAC8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide
SMILESO=C(CCCCCCCOc1cccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)c1)NO
InChIInChI=1S/C28H29N5O3/c34-26(33-35)13-4-2-1-3-7-16-36-21-10-8-9-19(17-21)27-31-24-15-14-20(18-25(24)32-27)28-29-22-11-5-6-12-23(22)30-28/h5-6,8-12,14-15,17-18,35H,1-4,7,13,16H2,(H,29,30)(H,31,32)(H,33,34)
InChIKeyGOHSWCLTSSWQDR-UHFFFAOYSA-N
MW483.57 g/mol
LogP6.00
Rot. Bonds11

About 8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide

8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide (PubChem CID 166636207) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide.

Molecular Properties

Compound Name8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide
PubChem CID166636207
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide
SMILESO=C(CCCCCCCOc1cccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)c1)NO
InChIInChI=1S/C28H29N5O3/c34-26(33-35)13-4-2-1-3-7-16-36-21-10-8-9-19(17-21)27-31-24-15-14-20(18-25(24)32-27)28-29-22-11-5-6-12-23(22)30-28/h5-6,8-12,14-15,17-18,35H,1-4,7,13,16H2,(H,29,30)(H,31,32)(H,33,34)
InChIKeyGOHSWCLTSSWQDR-UHFFFAOYSA-N
XLogP6.00
TPSA115.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 56.00
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 8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide?
The IUPAC name of 8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide (CID 166636207) is 8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide.
What is the SMILES notation for 8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide?
The canonical SMILES for 8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide is O=C(CCCCCCCOc1cccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)c1)NO.
What is the InChIKey of 8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide?
The InChIKey is GOHSWCLTSSWQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c34-26(33-35)13-4-2-1-3-7-16-36-21-10-8-9-19(17-21)27-31-24-15-14-20(18-25(24)32-27)28-29-22-11-5-6-12-23(22)30-28/h5-6,8-12,14-15,17-18,35H,1-4,7,13,16H2,(H,29,30)(H,31,32)(H,33,34).
What are the key properties of 8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide?
8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide has a molecular weight of 483.57 g/mol, XLogP of 6.00, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide is sourced from PubChem (CID 166636207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).