4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline

C24H25N3O2 — CID 7006385

IUPAC4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline
SMILESCOc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2C)cc1
InChIInChI=1S/C24H25N3O2/c1-18-7-3-6-10-23(18)29-16-15-27-22-9-5-4-8-21(22)26-24(27)17-25-19-11-13-20(28-2)14-12-19/h3-14,25H,15-17H2,1-2H3
InChIKeyDVITUKJKEPTQAE-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.04
Rot. Bonds8

About 4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline

4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline (PubChem CID 7006385) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline
PubChem CID7006385
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline
SMILESCOc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2C)cc1
InChIInChI=1S/C24H25N3O2/c1-18-7-3-6-10-23(18)29-16-15-27-22-9-5-4-8-21(22)26-24(27)17-25-19-11-13-20(28-2)14-12-19/h3-14,25H,15-17H2,1-2H3
InChIKeyDVITUKJKEPTQAE-UHFFFAOYSA-N
XLogP5.04
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline 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-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline?
The IUPAC name of 4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline (CID 7006385) is 4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline?
The canonical SMILES for 4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline is COc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2C)cc1.
What is the InChIKey of 4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline?
The InChIKey is DVITUKJKEPTQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-7-3-6-10-23(18)29-16-15-27-22-9-5-4-8-21(22)26-24(27)17-25-19-11-13-20(28-2)14-12-19/h3-14,25H,15-17H2,1-2H3.
What are the key properties of 4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline?
4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline has a molecular weight of 387.48 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]aniline is sourced from PubChem (CID 7006385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).