6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole

C21H18N2O2 — CID 11724181

IUPAC6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole
SMILESCOc1ccc2nc(-c3ccccc3)n(OCc3ccccc3)c2c1
InChIInChI=1S/C21H18N2O2/c1-24-18-12-13-19-20(14-18)23(25-15-16-8-4-2-5-9-16)21(22-19)17-10-6-3-7-11-17/h2-14H,15H2,1H3
InChIKeyYCKXQFLSLITLJP-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.34
Rot. Bonds5

About 6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole

6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole (PubChem CID 11724181) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole.

Molecular Properties

Compound Name6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole
PubChem CID11724181
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole
SMILESCOc1ccc2nc(-c3ccccc3)n(OCc3ccccc3)c2c1
InChIInChI=1S/C21H18N2O2/c1-24-18-12-13-19-20(14-18)23(25-15-16-8-4-2-5-9-16)21(22-19)17-10-6-3-7-11-17/h2-14H,15H2,1H3
InChIKeyYCKXQFLSLITLJP-UHFFFAOYSA-N
XLogP4.34
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole?
The IUPAC name of 6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole (CID 11724181) is 6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole.
What is the SMILES notation for 6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole?
The canonical SMILES for 6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole is COc1ccc2nc(-c3ccccc3)n(OCc3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole?
The InChIKey is YCKXQFLSLITLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-18-12-13-19-20(14-18)23(25-15-16-8-4-2-5-9-16)21(22-19)17-10-6-3-7-11-17/h2-14H,15H2,1H3.
What are the key properties of 6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole?
6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole has a molecular weight of 330.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenyl-1-phenylmethoxybenzimidazole is sourced from PubChem (CID 11724181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).