2-benzhydryl-5,6-dimethoxy-1H-benzimidazole

C22H20N2O2 — CID 82144272

IUPAC2-benzhydryl-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(C(c3ccccc3)c3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C22H20N2O2/c1-25-19-13-17-18(14-20(19)26-2)24-22(23-17)21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H,23,24)
InChIKeyUEKVKRZVBBQVIH-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.76
Rot. Bonds5

About 2-benzhydryl-5,6-dimethoxy-1H-benzimidazole

2-benzhydryl-5,6-dimethoxy-1H-benzimidazole (PubChem CID 82144272) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-benzhydryl-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-benzhydryl-5,6-dimethoxy-1H-benzimidazole
PubChem CID82144272
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-benzhydryl-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(C(c3ccccc3)c3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C22H20N2O2/c1-25-19-13-17-18(14-20(19)26-2)24-22(23-17)21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H,23,24)
InChIKeyUEKVKRZVBBQVIH-UHFFFAOYSA-N
XLogP4.76
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-benzhydryl-5,6-dimethoxy-1H-benzimidazole (CID 82144272) is 2-benzhydryl-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-benzhydryl-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-benzhydryl-5,6-dimethoxy-1H-benzimidazole is COc1cc2nc(C(c3ccccc3)c3ccccc3)[nH]c2cc1OC.
What is the InChIKey of 2-benzhydryl-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is UEKVKRZVBBQVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-19-13-17-18(14-20(19)26-2)24-22(23-17)21(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,21H,1-2H3,(H,23,24).
What are the key properties of 2-benzhydryl-5,6-dimethoxy-1H-benzimidazole?
2-benzhydryl-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 344.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 82144272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).