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

C30H26N4O — CID 90644533

IUPAC1-benzyl-2-[4-[2-(2-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole
SMILESCc1nc2ccccc2n1CCOc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C30H26N4O/c1-22-31-26-11-5-7-13-28(26)33(22)19-20-35-25-17-15-24(16-18-25)30-32-27-12-6-8-14-29(27)34(30)21-23-9-3-2-4-10-23/h2-18H,19-21H2,1H3
InChIKeyGAZBLIWKSSLNDM-UHFFFAOYSA-N
MW458.57 g/mol
LogP6.49
Rot. Bonds7

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

1-benzyl-2-[4-[2-(2-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole (PubChem CID 90644533) has the molecular formula C30H26N4O and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-benzyl-2-[4-[2-(2-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[4-[2-(2-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole
PubChem CID90644533
Molecular FormulaC30H26N4O
Molecular Weight458.57 g/mol
Exact Mass458.21
IUPAC Name1-benzyl-2-[4-[2-(2-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole
SMILESCc1nc2ccccc2n1CCOc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C30H26N4O/c1-22-31-26-11-5-7-13-28(26)33(22)19-20-35-25-17-15-24(16-18-25)30-32-27-12-6-8-14-29(27)34(30)21-23-9-3-2-4-10-23/h2-18H,19-21H2,1H3
InChIKeyGAZBLIWKSSLNDM-UHFFFAOYSA-N
XLogP6.49
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.57
LogP ≤ 56.49
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-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[4-[2-(2-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole (CID 90644533) is 1-benzyl-2-[4-[2-(2-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[4-[2-(2-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[4-[2-(2-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole is Cc1nc2ccccc2n1CCOc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-[4-[2-(2-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole?
The InChIKey is GAZBLIWKSSLNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O/c1-22-31-26-11-5-7-13-28(26)33(22)19-20-35-25-17-15-24(16-18-25)30-32-27-12-6-8-14-29(27)34(30)21-23-9-3-2-4-10-23/h2-18H,19-21H2,1H3.
What are the key properties of 1-benzyl-2-[4-[2-(2-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole?
1-benzyl-2-[4-[2-(2-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole has a molecular weight of 458.57 g/mol, XLogP of 6.49, 7 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-methylbenzimidazol-1-yl)ethoxy]phenyl]benzimidazole is sourced from PubChem (CID 90644533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).