5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide

C25H23N5O3 — CID 166631693

IUPAC5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide
SMILESO=C(CCCCOc1ccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)cc1)NO
InChIInChI=1S/C25H23N5O3/c31-23(30-32)7-3-4-14-33-18-11-8-16(9-12-18)24-28-21-13-10-17(15-22(21)29-24)25-26-19-5-1-2-6-20(19)27-25/h1-2,5-6,8-13,15,32H,3-4,7,14H2,(H,26,27)(H,28,29)(H,30,31)
InChIKeyPLXRUHJKGVLEDO-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.83
Rot. Bonds8

About 5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide

5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide (PubChem CID 166631693) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide
PubChem CID166631693
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide
SMILESO=C(CCCCOc1ccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)cc1)NO
InChIInChI=1S/C25H23N5O3/c31-23(30-32)7-3-4-14-33-18-11-8-16(9-12-18)24-28-21-13-10-17(15-22(21)29-24)25-26-19-5-1-2-6-20(19)27-25/h1-2,5-6,8-13,15,32H,3-4,7,14H2,(H,26,27)(H,28,29)(H,30,31)
InChIKeyPLXRUHJKGVLEDO-UHFFFAOYSA-N
XLogP4.83
TPSA115.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.83
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 5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide?
The IUPAC name of 5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide (CID 166631693) is 5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide.
What is the SMILES notation for 5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide?
The canonical SMILES for 5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide is O=C(CCCCOc1ccc(-c2nc3ccc(-c4nc5ccccc5[nH]4)cc3[nH]2)cc1)NO.
What is the InChIKey of 5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide?
The InChIKey is PLXRUHJKGVLEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c31-23(30-32)7-3-4-14-33-18-11-8-16(9-12-18)24-28-21-13-10-17(15-22(21)29-24)25-26-19-5-1-2-6-20(19)27-25/h1-2,5-6,8-13,15,32H,3-4,7,14H2,(H,26,27)(H,28,29)(H,30,31).
What are the key properties of 5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide?
5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide has a molecular weight of 441.49 g/mol, XLogP of 4.83, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide is sourced from PubChem (CID 166631693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).