2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole

C23H22N2O2 — CID 20930584

IUPAC2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
SMILESCOc1cc(OC)cc(-c2nc3ccccc3n2Cc2ccc(C)cc2)c1
InChIInChI=1S/C23H22N2O2/c1-16-8-10-17(11-9-16)15-25-22-7-5-4-6-21(22)24-23(25)18-12-19(26-2)14-20(13-18)27-3/h4-14H,15H2,1-3H3
InChIKeyDHGWHIDKSITNMD-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.08
Rot. Bonds5

About 2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole

2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole (PubChem CID 20930584) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
PubChem CID20930584
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
SMILESCOc1cc(OC)cc(-c2nc3ccccc3n2Cc2ccc(C)cc2)c1
InChIInChI=1S/C23H22N2O2/c1-16-8-10-17(11-9-16)15-25-22-7-5-4-6-21(22)24-23(25)18-12-19(26-2)14-20(13-18)27-3/h4-14H,15H2,1-3H3
InChIKeyDHGWHIDKSITNMD-UHFFFAOYSA-N
XLogP5.08
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole (CID 20930584) is 2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole is COc1cc(OC)cc(-c2nc3ccccc3n2Cc2ccc(C)cc2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole?
The InChIKey is DHGWHIDKSITNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16-8-10-17(11-9-16)15-25-22-7-5-4-6-21(22)24-23(25)18-12-19(26-2)14-20(13-18)27-3/h4-14H,15H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole?
2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole has a molecular weight of 358.44 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole is sourced from PubChem (CID 20930584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).