1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole

C38H34N4O — CID 71447323

IUPAC1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole
SMILESCCC[C@H](COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C38H34N4O/c1-2-13-31(42-36-21-12-10-19-34(36)40-38(42)29-16-7-4-8-17-29)27-43-32-24-22-30(23-25-32)37-39-33-18-9-11-20-35(33)41(37)26-28-14-5-3-6-15-28/h3-12,14-25,31H,2,13,26-27H2,1H3/t31-/m1/s1
InChIKeyOZXGANJWKQAJNH-WJOKGBTCSA-N
MW562.72 g/mol
LogP9.19
Rot. Bonds10

About 1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole

1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole (PubChem CID 71447323) has the molecular formula C38H34N4O and a molecular weight of 562.72 g/mol. Its IUPAC name is 1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole
PubChem CID71447323
Molecular FormulaC38H34N4O
Molecular Weight562.72 g/mol
Exact Mass562.27
IUPAC Name1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole
SMILESCCC[C@H](COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C38H34N4O/c1-2-13-31(42-36-21-12-10-19-34(36)40-38(42)29-16-7-4-8-17-29)27-43-32-24-22-30(23-25-32)37-39-33-18-9-11-20-35(33)41(37)26-28-14-5-3-6-15-28/h3-12,14-25,31H,2,13,26-27H2,1H3/t31-/m1/s1
InChIKeyOZXGANJWKQAJNH-WJOKGBTCSA-N
XLogP9.19
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]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 1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole (CID 71447323) is 1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole is CCC[C@H](COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1)n1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole?
The InChIKey is OZXGANJWKQAJNH-WJOKGBTCSA-N. The full InChI is InChI=1S/C38H34N4O/c1-2-13-31(42-36-21-12-10-19-34(36)40-38(42)29-16-7-4-8-17-29)27-43-32-24-22-30(23-25-32)37-39-33-18-9-11-20-35(33)41(37)26-28-14-5-3-6-15-28/h3-12,14-25,31H,2,13,26-27H2,1H3/t31-/m1/s1.
What are the key properties of 1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole?
1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole has a molecular weight of 562.72 g/mol, XLogP of 9.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[4-[(2R)-2-(2-phenylbenzimidazol-1-yl)pentoxy]phenyl]benzimidazole is sourced from PubChem (CID 71447323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).