1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole

C41H38N4O — CID 73292741

IUPAC1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole
SMILESc1ccc(Cn2c(-c3ccc(OCC(C4CCCCC4)n4c(-c5ccccc5)nc5ccccc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C41H38N4O/c1-4-14-30(15-5-1)28-44-37-22-12-10-20-35(37)42-40(44)33-24-26-34(27-25-33)46-29-39(31-16-6-2-7-17-31)45-38-23-13-11-21-36(38)43-41(45)32-18-8-3-9-19-32/h1,3-5,8-15,18-27,31,39H,2,6-7,16-17,28-29H2
InChIKeyGGDWPSUUQUWBPM-UHFFFAOYSA-N
MW602.78 g/mol
LogP9.97
Rot. Bonds9

About 1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole

1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole (PubChem CID 73292741) has the molecular formula C41H38N4O and a molecular weight of 602.78 g/mol. Its IUPAC name is 1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole
PubChem CID73292741
Molecular FormulaC41H38N4O
Molecular Weight602.78 g/mol
Exact Mass602.30
IUPAC Name1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole
SMILESc1ccc(Cn2c(-c3ccc(OCC(C4CCCCC4)n4c(-c5ccccc5)nc5ccccc54)cc3)nc3ccccc32)cc1
InChIInChI=1S/C41H38N4O/c1-4-14-30(15-5-1)28-44-37-22-12-10-20-35(37)42-40(44)33-24-26-34(27-25-33)46-29-39(31-16-6-2-7-17-31)45-38-23-13-11-21-36(38)43-41(45)32-18-8-3-9-19-32/h1,3-5,8-15,18-27,31,39H,2,6-7,16-17,28-29H2
InChIKeyGGDWPSUUQUWBPM-UHFFFAOYSA-N
XLogP9.97
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]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-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole (CID 73292741) is 1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole is c1ccc(Cn2c(-c3ccc(OCC(C4CCCCC4)n4c(-c5ccccc5)nc5ccccc54)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole?
The InChIKey is GGDWPSUUQUWBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4O/c1-4-14-30(15-5-1)28-44-37-22-12-10-20-35(37)42-40(44)33-24-26-34(27-25-33)46-29-39(31-16-6-2-7-17-31)45-38-23-13-11-21-36(38)43-41(45)32-18-8-3-9-19-32/h1,3-5,8-15,18-27,31,39H,2,6-7,16-17,28-29H2.
What are the key properties of 1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole?
1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole has a molecular weight of 602.78 g/mol, XLogP of 9.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[4-[2-cyclohexyl-2-(2-phenylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole is sourced from PubChem (CID 73292741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).