2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole

C22H20N2O2 — CID 746182

IUPAC2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(Cn2c(-c3ccc(OC)cc3)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O2/c1-25-18-11-7-16(8-12-18)15-24-21-6-4-3-5-20(21)23-22(24)17-9-13-19(26-2)14-10-17/h3-14H,15H2,1-2H3
InChIKeyYDUZZETWBAQFAY-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.77
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole

2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole (PubChem CID 746182) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
PubChem CID746182
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(Cn2c(-c3ccc(OC)cc3)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O2/c1-25-18-11-7-16(8-12-18)15-24-21-6-4-3-5-20(21)23-22(24)17-9-13-19(26-2)14-10-17/h3-14H,15H2,1-2H3
InChIKeyYDUZZETWBAQFAY-UHFFFAOYSA-N
XLogP4.77
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole (CID 746182) is 2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole is COc1ccc(Cn2c(-c3ccc(OC)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole?
The InChIKey is YDUZZETWBAQFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-18-11-7-16(8-12-18)15-24-21-6-4-3-5-20(21)23-22(24)17-9-13-19(26-2)14-10-17/h3-14H,15H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole?
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole has a molecular weight of 344.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 746182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).