2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole

C25H26N2O2 — CID 16987595

IUPAC2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1cccc(OCCCn2c(-c3ccc(C)cc3C)nc3ccccc32)c1
InChIInChI=1S/C25H26N2O2/c1-18-12-13-22(19(2)16-18)25-26-23-10-4-5-11-24(23)27(25)14-7-15-29-21-9-6-8-20(17-21)28-3/h4-6,8-13,16-17H,7,14-15H2,1-3H3
InChIKeyVBDVPLRZAMIRBE-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.80
Rot. Bonds7

About 2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole

2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole (PubChem CID 16987595) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
PubChem CID16987595
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
SMILESCOc1cccc(OCCCn2c(-c3ccc(C)cc3C)nc3ccccc32)c1
InChIInChI=1S/C25H26N2O2/c1-18-12-13-22(19(2)16-18)25-26-23-10-4-5-11-24(23)27(25)14-7-15-29-21-9-6-8-20(17-21)28-3/h4-6,8-13,16-17H,7,14-15H2,1-3H3
InChIKeyVBDVPLRZAMIRBE-UHFFFAOYSA-N
XLogP5.80
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16987594
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 17000191
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
2-(2-fluorophenyl)-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 19243301
1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
CID 17000668
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16998028
1-[4-(4-methoxyphenoxy)butyl]-2-(2-methylphenyl)benzimidazole
CID 17000704
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996440
1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996152
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole (CID 16987595) is 2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole is COc1cccc(OCCCn2c(-c3ccc(C)cc3C)nc3ccccc32)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
The InChIKey is VBDVPLRZAMIRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-12-13-22(19(2)16-18)25-26-23-10-4-5-11-24(23)27(25)14-7-15-29-21-9-6-8-20(17-21)28-3/h4-6,8-13,16-17H,7,14-15H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole is sourced from PubChem (CID 16987595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).