1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine

C23H21N3O — CID 130177813

IUPAC1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine
SMILESC/N=C/c1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1OC
InChIInChI=1S/C23H21N3O/c1-24-14-20-12-11-19(13-23(20)27-2)18-9-7-17(8-10-18)15-26-16-25-21-5-3-4-6-22(21)26/h3-14,16H,15H2,1-2H3/b24-14+
InChIKeyVIARECHSEHZUFE-ZVHZXABRSA-N
MW355.44 g/mol
LogP4.81
Rot. Bonds5

About 1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine

1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine (PubChem CID 130177813) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine
PubChem CID130177813
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine
SMILESC/N=C/c1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1OC
InChIInChI=1S/C23H21N3O/c1-24-14-20-12-11-19(13-23(20)27-2)18-9-7-17(8-10-18)15-26-16-25-21-5-3-4-6-22(21)26/h3-14,16H,15H2,1-2H3/b24-14+
InChIKeyVIARECHSEHZUFE-ZVHZXABRSA-N
XLogP4.81
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine?
The IUPAC name of 1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine (CID 130177813) is 1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine.
What is the SMILES notation for 1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine?
The canonical SMILES for 1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine is C/N=C/c1ccc(-c2ccc(Cn3cnc4ccccc43)cc2)cc1OC.
What is the InChIKey of 1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine?
The InChIKey is VIARECHSEHZUFE-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H21N3O/c1-24-14-20-12-11-19(13-23(20)27-2)18-9-7-17(8-10-18)15-26-16-25-21-5-3-4-6-22(21)26/h3-14,16H,15H2,1-2H3/b24-14+.
What are the key properties of 1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine?
1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine has a molecular weight of 355.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methoxyphenyl]-N-methylmethanimine is sourced from PubChem (CID 130177813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).