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

C31H26N4O — CID 90644532

IUPAC1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole
SMILESc1ccc(Cn2c(-c3ccc(OCCn4ccnc4-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C31H26N4O/c1-3-9-24(10-4-1)23-35-29-14-8-7-13-28(29)33-31(35)26-15-17-27(18-16-26)36-22-21-34-20-19-32-30(34)25-11-5-2-6-12-25/h1-20H,21-23H2
InChIKeyRWUHWFPIDSTDBN-UHFFFAOYSA-N
MW470.58 g/mol
LogP6.69
Rot. Bonds8

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

1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole (PubChem CID 90644532) has the molecular formula C31H26N4O and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole
PubChem CID90644532
Molecular FormulaC31H26N4O
Molecular Weight470.58 g/mol
Exact Mass470.21
IUPAC Name1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole
SMILESc1ccc(Cn2c(-c3ccc(OCCn4ccnc4-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C31H26N4O/c1-3-9-24(10-4-1)23-35-29-14-8-7-13-28(29)33-31(35)26-15-17-27(18-16-26)36-22-21-34-20-19-32-30(34)25-11-5-2-6-12-25/h1-20H,21-23H2
InChIKeyRWUHWFPIDSTDBN-UHFFFAOYSA-N
XLogP6.69
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole (CID 90644532) is 1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole is c1ccc(Cn2c(-c3ccc(OCCn4ccnc4-c4ccccc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole?
The InChIKey is RWUHWFPIDSTDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O/c1-3-9-24(10-4-1)23-35-29-14-8-7-13-28(29)33-31(35)26-15-17-27(18-16-26)36-22-21-34-20-19-32-30(34)25-11-5-2-6-12-25/h1-20H,21-23H2.
What are the key properties of 1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole?
1-benzyl-2-[4-[2-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole has a molecular weight of 470.58 g/mol, XLogP of 6.69, 8 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-(2-phenylimidazol-1-yl)ethoxy]phenyl]benzimidazole is sourced from PubChem (CID 90644532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).