2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole

C31H28N4O2 — CID 25255579

IUPAC2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
SMILESc1cc(OCCCCCOc2cccc(-c3nc4ccccc4[nH]3)c2)cc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C31H28N4O2/c1(6-18-36-24-12-8-10-22(20-24)30-32-26-14-2-3-15-27(26)33-30)7-19-37-25-13-9-11-23(21-25)31-34-28-16-4-5-17-29(28)35-31/h2-5,8-17,20-21H,1,6-7,18-19H2,(H,32,33)(H,34,35)
InChIKeyQZPOASXCOYQSRX-UHFFFAOYSA-N
MW488.59 g/mol
LogP7.40
Rot. Bonds10

About 2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole

2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole (PubChem CID 25255579) has the molecular formula C31H28N4O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
PubChem CID25255579
Molecular FormulaC31H28N4O2
Molecular Weight488.59 g/mol
Exact Mass488.22
IUPAC Name2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
SMILESc1cc(OCCCCCOc2cccc(-c3nc4ccccc4[nH]3)c2)cc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C31H28N4O2/c1(6-18-36-24-12-8-10-22(20-24)30-32-26-14-2-3-15-27(26)33-30)7-19-37-25-13-9-11-23(21-25)31-34-28-16-4-5-17-29(28)35-31/h2-5,8-17,20-21H,1,6-7,18-19H2,(H,32,33)(H,34,35)
InChIKeyQZPOASXCOYQSRX-UHFFFAOYSA-N
XLogP7.40
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole 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 2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole (CID 25255579) is 2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole is c1cc(OCCCCCOc2cccc(-c3nc4ccccc4[nH]3)c2)cc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole?
The InChIKey is QZPOASXCOYQSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O2/c1(6-18-36-24-12-8-10-22(20-24)30-32-26-14-2-3-15-27(26)33-30)7-19-37-25-13-9-11-23(21-25)31-34-28-16-4-5-17-29(28)35-31/h2-5,8-17,20-21H,1,6-7,18-19H2,(H,32,33)(H,34,35).
What are the key properties of 2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole?
2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole has a molecular weight of 488.59 g/mol, XLogP of 7.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[3-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 25255579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).