2,2-dibenzyl-4-methoxybenzimidazole

C22H20N2O — CID 20537810

IUPAC2,2-dibenzyl-4-methoxybenzimidazole
SMILESCOc1cccc2c1=NC(Cc1ccccc1)(Cc1ccccc1)N=2
InChIInChI=1S/C22H20N2O/c1-25-20-14-8-13-19-21(20)24-22(23-19,15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-14H,15-16H2,1H3
InChIKeyUQSQOZCAYPFZBF-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.13
Rot. Bonds5

About 2,2-dibenzyl-4-methoxybenzimidazole

2,2-dibenzyl-4-methoxybenzimidazole (PubChem CID 20537810) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2,2-dibenzyl-4-methoxybenzimidazole.

Molecular Properties

Compound Name2,2-dibenzyl-4-methoxybenzimidazole
PubChem CID20537810
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2,2-dibenzyl-4-methoxybenzimidazole
SMILESCOc1cccc2c1=NC(Cc1ccccc1)(Cc1ccccc1)N=2
InChIInChI=1S/C22H20N2O/c1-25-20-14-8-13-19-21(20)24-22(23-19,15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-14H,15-16H2,1H3
InChIKeyUQSQOZCAYPFZBF-UHFFFAOYSA-N
XLogP3.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzyl-4-methoxybenzimidazole?
The IUPAC name of 2,2-dibenzyl-4-methoxybenzimidazole (CID 20537810) is 2,2-dibenzyl-4-methoxybenzimidazole.
What is the SMILES notation for 2,2-dibenzyl-4-methoxybenzimidazole?
The canonical SMILES for 2,2-dibenzyl-4-methoxybenzimidazole is COc1cccc2c1=NC(Cc1ccccc1)(Cc1ccccc1)N=2.
What is the InChIKey of 2,2-dibenzyl-4-methoxybenzimidazole?
The InChIKey is UQSQOZCAYPFZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-25-20-14-8-13-19-21(20)24-22(23-19,15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-14H,15-16H2,1H3.
What are the key properties of 2,2-dibenzyl-4-methoxybenzimidazole?
2,2-dibenzyl-4-methoxybenzimidazole has a molecular weight of 328.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzyl-4-methoxybenzimidazole is sourced from PubChem (CID 20537810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).