4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline

C23H22N4O — CID 1223250

IUPAC4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline
SMILESCOc1ccccc1-n1cnc2cc(/N=C/c3ccc(N(C)C)cc3)ccc21
InChIInChI=1S/C23H22N4O/c1-26(2)19-11-8-17(9-12-19)15-24-18-10-13-21-20(14-18)25-16-27(21)22-6-4-5-7-23(22)28-3/h4-16H,1-3H3/b24-15+
InChIKeyHXAIBYIGHIWQBP-BUVRLJJBSA-N
MW370.46 g/mol
LogP4.85
Rot. Bonds5

About 4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline

4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline (PubChem CID 1223250) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline
PubChem CID1223250
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline
SMILESCOc1ccccc1-n1cnc2cc(/N=C/c3ccc(N(C)C)cc3)ccc21
InChIInChI=1S/C23H22N4O/c1-26(2)19-11-8-17(9-12-19)15-24-18-10-13-21-20(14-18)25-16-27(21)22-6-4-5-7-23(22)28-3/h4-16H,1-3H3/b24-15+
InChIKeyHXAIBYIGHIWQBP-BUVRLJJBSA-N
XLogP4.85
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline 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 4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline (CID 1223250) is 4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline is COc1ccccc1-n1cnc2cc(/N=C/c3ccc(N(C)C)cc3)ccc21.
What is the InChIKey of 4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline?
The InChIKey is HXAIBYIGHIWQBP-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H22N4O/c1-26(2)19-11-8-17(9-12-19)15-24-18-10-13-21-20(14-18)25-16-27(21)22-6-4-5-7-23(22)28-3/h4-16H,1-3H3/b24-15+.
What are the key properties of 4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline?
4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline has a molecular weight of 370.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyphenyl)benzimidazol-5-yl]iminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 1223250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).