1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole

C27H22N2O — CID 67049643

IUPAC1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole
SMILESc1ccc(COc2ccccc2-c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C27H22N2O/c1-3-11-21(12-4-1)19-29-25-17-9-8-16-24(25)28-27(29)23-15-7-10-18-26(23)30-20-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIKeyXXAMTGPBNZGJES-UHFFFAOYSA-N
MW390.49 g/mol
LogP6.33
Rot. Bonds6

About 1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole

1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole (PubChem CID 67049643) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole
PubChem CID67049643
Molecular FormulaC27H22N2O
Molecular Weight390.49 g/mol
Exact Mass390.17
IUPAC Name1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole
SMILESc1ccc(COc2ccccc2-c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C27H22N2O/c1-3-11-21(12-4-1)19-29-25-17-9-8-16-24(25)28-27(29)23-15-7-10-18-26(23)30-20-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIKeyXXAMTGPBNZGJES-UHFFFAOYSA-N
XLogP6.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole?
The IUPAC name of 1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole (CID 67049643) is 1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole.
What is the SMILES notation for 1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole?
The canonical SMILES for 1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole is c1ccc(COc2ccccc2-c2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole?
The InChIKey is XXAMTGPBNZGJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c1-3-11-21(12-4-1)19-29-25-17-9-8-16-24(25)28-27(29)23-15-7-10-18-26(23)30-20-22-13-5-2-6-14-22/h1-18H,19-20H2.
What are the key properties of 1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole?
1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole has a molecular weight of 390.49 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-phenylmethoxyphenyl)benzimidazole is sourced from PubChem (CID 67049643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).