6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole

C28H20Cl2N4O2 — CID 25255675

IUPAC6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
SMILESClc1ccc2nc(-c3ccc(OCCOc4ccc(-c5nc6ccc(Cl)cc6[nH]5)cc4)cc3)[nH]c2c1
InChIInChI=1S/C28H20Cl2N4O2/c29-19-5-11-23-25(15-19)33-27(31-23)17-1-7-21(8-2-17)35-13-14-36-22-9-3-18(4-10-22)28-32-24-12-6-20(30)16-26(24)34-28/h1-12,15-16H,13-14H2,(H,31,33)(H,32,34)
InChIKeyOZPXSSYNBAUAIX-UHFFFAOYSA-N
MW515.40 g/mol
LogP7.54
Rot. Bonds7

About 6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole

6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole (PubChem CID 25255675) has the molecular formula C28H20Cl2N4O2 and a molecular weight of 515.40 g/mol. Its IUPAC name is 6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
PubChem CID25255675
Molecular FormulaC28H20Cl2N4O2
Molecular Weight515.40 g/mol
Exact Mass514.10
IUPAC Name6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
SMILESClc1ccc2nc(-c3ccc(OCCOc4ccc(-c5nc6ccc(Cl)cc6[nH]5)cc4)cc3)[nH]c2c1
InChIInChI=1S/C28H20Cl2N4O2/c29-19-5-11-23-25(15-19)33-27(31-23)17-1-7-21(8-2-17)35-13-14-36-22-9-3-18(4-10-22)28-32-24-12-6-20(30)16-26(24)34-28/h1-12,15-16H,13-14H2,(H,31,33)(H,32,34)
InChIKeyOZPXSSYNBAUAIX-UHFFFAOYSA-N
XLogP7.54
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.40
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]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

Related Compounds

2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
CID 45408654
(Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369039
2-[4-(6-bromo-1H-benzimidazol-2-yl)phenoxy]ethanol
CID 103597094
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one
CID 136703861
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
amino-[2-[4-[7-[4-[6-[amino(methylidene)azaniumyl]-1H-benzimidazol-2-yl]phenoxy]heptoxy]phenyl]-3H-benzimidazol-5-yl]-methylideneazanium
CID 132850561
2-[4-(4-dodecoxyphenyl)phenyl]-6-methyl-1H-benzimidazole
CID 102447965
2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine
CID 84816368

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole (CID 25255675) is 6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole is Clc1ccc2nc(-c3ccc(OCCOc4ccc(-c5nc6ccc(Cl)cc6[nH]5)cc4)cc3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole?
The InChIKey is OZPXSSYNBAUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2N4O2/c29-19-5-11-23-25(15-19)33-27(31-23)17-1-7-21(8-2-17)35-13-14-36-22-9-3-18(4-10-22)28-32-24-12-6-20(30)16-26(24)34-28/h1-12,15-16H,13-14H2,(H,31,33)(H,32,34).
What are the key properties of 6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole?
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole has a molecular weight of 515.40 g/mol, XLogP of 7.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 25255675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).