1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole

C25H26N2O2 — CID 16998835

IUPAC1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
SMILESCc1cc(C)cc(OCCn2c(C(C)Oc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C25H26N2O2/c1-18-15-19(2)17-22(16-18)28-14-13-27-24-12-8-7-11-23(24)26-25(27)20(3)29-21-9-5-4-6-10-21/h4-12,15-17,20H,13-14H2,1-3H3
InChIKeyHDXVEZQKYPEUFU-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.87
Rot. Bonds7

About 1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole

1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole (PubChem CID 16998835) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
PubChem CID16998835
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole
SMILESCc1cc(C)cc(OCCn2c(C(C)Oc3ccccc3)nc3ccccc32)c1
InChIInChI=1S/C25H26N2O2/c1-18-15-19(2)17-22(16-18)28-14-13-27-24-12-8-7-11-23(24)26-25(27)20(3)29-21-9-5-4-6-10-21/h4-12,15-17,20H,13-14H2,1-3H3
InChIKeyHDXVEZQKYPEUFU-UHFFFAOYSA-N
XLogP5.87
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 ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)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-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 18877854
1-[4-(3,5-dimethylphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996565
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 16998977
N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968611
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
1-butyl-2-[1-(3-methylphenoxy)ethyl]benzimidazole
CID 18877810
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999141
2-[1-(3-methylphenoxy)ethyl]-1-nonylbenzimidazole
CID 18877805
[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995174
(1S)-1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 962321
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
CID 16998965

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole (CID 16998835) is 1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole is Cc1cc(C)cc(OCCn2c(C(C)Oc3ccccc3)nc3ccccc32)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole?
The InChIKey is HDXVEZQKYPEUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-15-19(2)17-22(16-18)28-14-13-27-24-12-8-7-11-23(24)26-25(27)20(3)29-21-9-5-4-6-10-21/h4-12,15-17,20H,13-14H2,1-3H3.
What are the key properties of 1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole?
1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenoxy)ethyl]-2-(1-phenoxyethyl)benzimidazole is sourced from PubChem (CID 16998835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).